(3S)-N-[(Z)-2-ethylbutylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-2-ethylbutylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-2-ethylbutylideneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-2-ethylbutylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-2-ethylbutylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-2-ethylbutylideneamino]-1-tosyl-nipecotamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C=NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)/C=N\NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H29N3O3S/c1-4-16(5-2)13-20-21-19(23)17-7-6-12-22(14-17)26(24,25)18-10-8-15(3)9-11-18/h8-11,13,16-17H,4-7,12,14H2,1-3H3,(H,21,23)/b20-13-/t17-/m0/s1