1-[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(2,4-dichlorophenyl)methyl-(p-tolylsulfonyl)amino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2,4-dichlorobenzyl)-tosyl-amino]acetyl]isonipecotamide Formula: C22H25Cl2N3O4S MolecularWeight: 498.4226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O4S/c1-15-2-6-19(7-3-15)32(30,31)27(13-17-4-5-18(23)12-20(17)24)14-21(28)26-10-8-16(9-11-26)22(25)29/h2-7,12,16H,8-11,13-14H2,1H3,(H2,25,29)