N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-isopropylsulfonylphenyl)acetamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H33N3O3S/c1-20(2)34(32,33)24-12-10-21(11-13-24)17-27(31)28-18-26(25-9-6-15-29(25)3)30-16-14-22-7-4-5-8-23(22)19-30/h4-13,15,20,26H,14,16-19H2,1-3H3,(H,28,31)