2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

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