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

Systemtic Name: N-[1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(4-isopentylsulfanyl-3-nitro-benzoyl)-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[4-(isoamylthio)-3-nitro-benzoyl]-4-piperidyl]thiophene-2-sulfonamide Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S3/c1-15(2)9-13-30-19-6-5-16(14-18(19)24(26)27)21(25)23-10-7-17(8-11-23)22-32(28,29)20-4-3-12-31-20/h3-6,12,14-15,17,22H,7-11,13H2,1-2H3