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

Systemtic Name: 4-[(1-morpholin-4-yl-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(morpholinomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(4-morpholinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-morpholin-4-yl-3-phenylsulfanylpropan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(morpholinomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S2/c20-30(26,27)17-6-7-18(19(12-17)23(24)25)21-15(13-22-8-10-28-11-9-22)14-29-16-4-2-1-3-5-16/h1-7,12,15,21H,8-11,13-14H2,(H2,20,26,27)