N-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(4-methylsulfanyl-3-nitro-benzoyl)-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(4-methylsulfanyl-3-nitrobenzoyl)piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[4-(methylthio)-3-nitro-benzoyl]-4-piperidyl]thiophene-2-sulfonamide Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S3/c1-26-15-5-4-12(11-14(15)20(22)23)17(21)19-8-6-13(7-9-19)18-28(24,25)16-3-2-10-27-16/h2-5,10-11,13,18H,6-9H2,1H3