N-(3-chloranyl-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3S/c1-17-20(23)10-5-11-21(17)24-22(26)19-12-14-25(15-13-19)29(27,28)16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,24,26)