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

Systemtic Name: (3R)-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-1-tosyl-nipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-15-8-10-20(11-9-15)29(27,28)25-12-4-6-18(14-25)21(26)24-23-16(2)17-5-3-7-19(22)13-17/h3,5,7-11,13,18H,4,6,12,14,22H2,1-2H3,(H,24,26)/b23-16-/t18-/m1/s1