[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C25H29ClN2O5S MolecularWeight: 505.02616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H29ClN2O5S/c1-17-6-5-7-18(2)28(17)24(29)16-33-25(30)20-10-11-22(26)23(14-20)34(31,32)27-13-12-19-8-3-4-9-21(19)15-27/h3-4,8-11,14,17-18H,5-7,12-13,15-16H2,1-2H3