1-[2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(3-chlorophenyl)methyl-(p-tolylsulfonyl)amino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(3-chlorobenzyl)-tosyl-amino]acetyl]isonipecotamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-16-5-7-20(8-6-16)31(29,30)26(14-17-3-2-4-19(23)13-17)15-21(27)25-11-9-18(10-12-25)22(24)28/h2-8,13,18H,9-12,14-15H2,1H3,(H2,24,28)