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

Systemtic Name: 4-[(4-morpholin-4-yl-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-morpholino-3-oxo-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(4-morpholinyl)-4-oxo-1-(phenylthio)butan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-keto-3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S2/c21-32(28,29)17-6-7-18(19(13-17)24(26)27)22-15(14-31-16-4-2-1-3-5-16)12-20(25)23-8-10-30-11-9-23/h1-7,13,15,22H,8-12,14H2,(H2,21,28,29)