1-[4-[(2-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[(2-methylphenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[methylsulfonyl(o-tolylmethyl)amino]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(2-methylphenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[mesyl-(2-methylbenzyl)amino]benzoyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)S(=O)(=O)C

InChI

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