4-[(4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S2/c21-31(27,28)18-6-7-19(20(14-18)24(25)26)22-16(8-9-23-10-12-29-13-11-23)15-30-17-4-2-1-3-5-17/h1-7,14,16,22H,8-13,15H2,(H2,21,27,28)