1-(4-chloranyl-3-nitro-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-N-(4-methylbenzyl)isonipecotamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-14-2-4-15(5-3-14)13-22-20(25)16-8-10-23(11-9-16)30(28,29)17-6-7-18(21)19(12-17)24(26)27/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)