(3S)-N-(heptan-4-ylideneamino)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(heptan-4-ylideneamino)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-propylbutylideneamino)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(heptan-4-ylideneamino)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(heptan-4-ylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1-propylbutylideneamino)-1-tosyl-nipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=NNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C)CCC

InChI

InChI=1S/C20H31N3O3S/c1-4-7-18(8-5-2)21-22-20(24)17-9-6-14-23(15-17)27(25,26)19-12-10-16(3)11-13-19/h10-13,17H,4-9,14-15H2,1-3H3,(H,22,24)/t17-/m0/s1