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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)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)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S/c1-19(29)28-16-13-20-9-4-5-12-23(20)24(28)18-25(30)26-21-10-8-11-22(17-21)33(31,32)27-14-6-2-3-7-15-27/h4-5,8-13,16-17,24H,2-3,6-7,14-15,18H2,1H3,(H,26,30)/t24-/m1/s1