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

Systemtic Name: 1-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-16-4-3-5-20(14-16)25(30(2,28)29)15-17-6-8-19(9-7-17)22(27)24-12-10-18(11-13-24)21(23)26/h3-9,14,18H,10-13,15H2,1-2H3,(H2,23,26)