ethyl (3S)-1-[4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-chloro-3-indolin-1-ylsulfonyl-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chloro-3-indolin-1-ylsulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H25ClN2O5S/c1-2-31-23(28)18-7-5-12-25(15-18)22(27)17-9-10-19(24)21(14-17)32(29,30)26-13-11-16-6-3-4-8-20(16)26/h3-4,6,8-10,14,18H,2,5,7,11-13,15H2,1H3/t18-/m0/s1