N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C26H31N3O5S/c1-19(30)29-16-13-20-9-5-6-10-22(20)24(29)18-26(31)27-23-17-21(11-12-25(23)34-2)35(32,33)28-14-7-3-4-8-15-28/h5-6,9-13,16-17,24H,3-4,7-8,14-15,18H2,1-2H3,(H,27,31)