4-[[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-4-[[3-oxo-3-[4-[2-(p-tolyl)ethyl]-1-piperidyl]propyl]amino]benzenesulfonamide CAS Name: 4-[[3-[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-keto-3-[4-[2-(p-tolyl)ethyl]piperidino]propyl]amino]-3-nitro-benzenesulfonamide Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-17-2-4-18(5-3-17)6-7-19-11-14-26(15-12-19)23(28)10-13-25-21-9-8-20(33(24,31)32)16-22(21)27(29)30/h2-5,8-9,16,19,25H,6-7,10-15H2,1H3,(H2,24,31,32)