N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O4S/c1-19-11-12-22(17-25(19)34(32,33)28-14-7-3-4-8-15-28)27-26(31)18-24-23-10-6-5-9-21(23)13-16-29(24)20(2)30/h5-6,9-13,16-17,24H,3-4,7-8,14-15,18H2,1-2H3,(H,27,31)/t24-/m1/s1