(3S)-1-methylsulfonyl-N-[(Z)-(4-propoxyphenyl)methylideneamino]piperidine-3-carboxamide

Systemtic Name: (3S)-1-methylsulfonyl-N-[(Z)-(4-propoxyphenyl)methylideneamino]piperidine-3-carboxamide Openeye Name: (3S)-1-methylsulfonyl-N-[(Z)-(4-propoxyphenyl)methyleneamino]piperidine-3-carboxamide CAS Name: (3S)-1-methylsulfonyl-N-[(Z)-(4-propoxyphenyl)methylideneamino]-3-piperidinecarboxamide IUPAC Name: (3S)-1-methylsulfonyl-N-[(Z)-(4-propoxyphenyl)methylideneamino]piperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-[(Z)-(4-propoxybenzylidene)amino]nipecotamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N\NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O4S/c1-3-11-24-16-8-6-14(7-9-16)12-18-19-17(21)15-5-4-10-20(13-15)25(2,22)23/h6-9,12,15H,3-5,10-11,13H2,1-2H3,(H,19,21)/b18-12-/t15-/m0/s1