[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H23N3O5S/c1-13-7-9-22(10-8-13)28(25,26)16-5-3-15(4-6-16)19(24)27-12-18(23)17(11-20)14(2)21/h3-6,13,17,21H,7-10,12H2,1-2H3/t17-/m1/s1