(3R)-N-[(Z)-(3-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[(Z)-(3-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(Z)-m-tolylmethyleneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-[(Z)-(3-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(Z)-(3-methylphenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(Z)-(3-methylbenzylidene)amino]-1-tosyl-nipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NN=CC3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N/N=C\C3=CC(=CC=C3)C

InChI

InChI=1S/C21H25N3O3S/c1-16-8-10-20(11-9-16)28(26,27)24-12-4-7-19(15-24)21(25)23-22-14-18-6-3-5-17(2)13-18/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,23,25)/b22-14-/t19-/m1/s1