N,N-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonyl-3-nitro-benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-[[4-[2-(p-tolyl)ethyl]-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]sulfonyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonyl-3-nitrobenzenesulfonamide Traditional Name: N,N-dimethyl-3-nitro-4-[4-[2-(p-tolyl)ethyl]piperidino]sulfonyl-benzenesulfonamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S2/c1-17-4-6-18(7-5-17)8-9-19-12-14-24(15-13-19)33(30,31)22-11-10-20(16-21(22)25(26)27)32(28,29)23(2)3/h4-7,10-11,16,19H,8-9,12-15H2,1-3H3