2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H29N3O5S/c1-3-33-23-11-10-20(16-24(23)34(31,32)27-13-6-7-14-27)26-25(30)17-22-21-9-5-4-8-19(21)12-15-28(22)18(2)29/h4-5,8-12,15-16,22H,3,6-7,13-14,17H2,1-2H3,(H,26,30)