N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-1-tosyl-isonipecotamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-15-3-9-20(10-4-15)28(26,27)24-13-11-18(12-14-24)21(25)23-16(2)17-5-7-19(22)8-6-17/h3-10,16,18H,11-14H2,1-2H3,(H,23,25)/t16-/m0/s1