1-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C)C

InChI

InChI=1S/C23H29N3O4S/c1-16-4-9-21(14-17(16)2)26(31(3,29)30)15-18-5-7-20(8-6-18)23(28)25-12-10-19(11-13-25)22(24)27/h4-9,14,19H,10-13,15H2,1-3H3,(H2,24,27)