ethyl (3S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]nipecotic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H28N2O5S/c1-2-31-24(28)21-10-6-13-25(16-21)23(27)19-9-5-11-22(15-19)32(29,30)26-14-12-18-7-3-4-8-20(18)17-26/h3-5,7-9,11,15,21H,2,6,10,12-14,16-17H2,1H3/t21-/m0/s1