2-azanyl-N,N-bis[4-[2-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-phenylsulfanyl-propanoyl]morpholin-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: 2-azanyl-N,N-bis[4-[2-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-phenylsulfanyl-propanoyl]morpholin-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: 2-amino-N,N-bis[4-[2-(2-nitro-4-sulfamoyl-anilino)-3-phenylsulfanyl-propanoyl]morpholin-3-yl]-3-phenylsulfanyl-propanamide CAS Name: 2-amino-N,N-bis[4-[2-(2-nitro-4-sulfamoylanilino)-1-oxo-3-(phenylthio)propyl]-3-morpholinyl]-3-(phenylthio)propanamide IUPAC Name: 2-amino-N,N-bis[4-[2-(2-nitro-4-sulfamoylanilino)-3-phenylsulfanylpropanoyl]morpholin-3-yl]-3-phenylsulfanylpropanamide Traditional Name: 2-amino-N,N-bis[4-[2-(2-nitro-4-sulfamoyl-anilino)-3-(phenylthio)propanoyl]morpholin-3-yl]-3-(phenylthio)propionamide Formula: C47H52N10O13S5 MolecularWeight: 1125.29998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C(=O)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])N(C4COCCN4C(=O)C(CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)N)[N+](=O)[O-])C(=O)C(CSC7=CC=CC=C7)N

Isomeric SMILES

C1COCC(N1C(=O)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])N(C4COCCN4C(=O)C(CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)N)[N+](=O)[O-])C(=O)C(CSC7=CC=CC=C7)N

InChI

InChI=1S/C47H52N10O13S5/c48-36(28-71-31-10-4-1-5-11-31)45(58)55(43-26-69-22-20-53(43)46(59)39(29-72-32-12-6-2-7-13-32)51-37-18-16-34(74(49,65)66)24-41(37)56(61)62)44-27-70-23-21-54(44)47(60)40(30-73-33-14-8-3-9-15-33)52-38-19-17-35(75(50,67)68)25-42(38)57(63)64/h1-19,24-25,36,39-40,43-44,51-52H,20-23,26-30,48H2,(H2,49,65,66)(H2,50,67,68)