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

Systemtic Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[(Z)-1-thiophen-2-ylpropylideneamino]piperidine-3-carboxamide Openeye Name: (3S)-1-(p-tolylsulfonyl)-N-[(Z)-1-(2-thienyl)propylideneamino]piperidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[(Z)-1-thiophen-2-ylpropylideneamino]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[(Z)-1-thiophen-2-ylpropylideneamino]piperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-1-(2-thienyl)propylideneamino]-1-tosyl-nipecotamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CC/C(=N/NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S2/c1-3-18(19-7-5-13-27-19)21-22-20(24)16-6-4-12-23(14-16)28(25,26)17-10-8-15(2)9-11-17/h5,7-11,13,16H,3-4,6,12,14H2,1-2H3,(H,22,24)/b21-18-/t16-/m0/s1