ethyl (3S)-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]nipecotic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H31N3O5S/c1-2-32-24(29)21-8-5-11-25(17-21)18-23(28)26-12-14-27(15-13-26)33(30,31)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,21H,2,5,8,11-15,17-18H2,1H3/t21-/m0/s1