ethyl 5-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C28H30N2O7S/c1-5-36-28(33)24-17(2)25(29-18(24)3)26(31)19(4)37-27(32)21-11-8-12-23(15-21)38(34,35)30-14-13-20-9-6-7-10-22(20)16-30/h6-12,15,19,29H,5,13-14,16H2,1-4H3