1-(4-methylphenyl)sulfonyl-N-[2-[(4-nitrophenyl)amino]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[2-[(4-nitrophenyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-1-tosyl-isonipecotamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-16-2-8-20(9-3-16)31(29,30)24-14-10-17(11-15-24)21(26)23-13-12-22-18-4-6-19(7-5-18)25(27)28/h2-9,17,22H,10-15H2,1H3,(H,23,26)