ethyl 1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H28N4O5S/c1-2-30-21(27)18-7-5-9-23(15-18)16-20(26)24-10-12-25(13-11-24)31(28,29)19-8-4-3-6-17(19)14-22/h3-4,6,8,18H,2,5,7,9-13,15-16H2,1H3