N-[3-(methylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(methylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(methylcarbamoyl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(methylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(methylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylcarbamoyl)phenyl]-1-tosyl-isonipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C21H25N3O4S/c1-15-6-8-19(9-7-15)29(27,28)24-12-10-16(11-13-24)21(26)23-18-5-3-4-17(14-18)20(25)22-2/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)(H,23,26)