N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyramide Formula: C27H38N4O8S2 MolecularWeight: 610.74262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OCC

InChI

InChI=1S/C27H38N4O8S2/c1-4-38-25-9-6-20(18-26(25)39-5-2)10-12-28-27(32)23(11-17-40-3)29-22-8-7-21(19-24(22)31(33)34)41(35,36)30-13-15-37-16-14-30/h6-9,18-19,23,29H,4-5,10-17H2,1-3H3,(H,28,32)