2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCN1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NCCN1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-24(29(27,28)20-8-6-17(14-22)7-9-20)16-21(26)23-11-13-25-12-10-18-4-2-3-5-19(18)15-25/h2-9H,10-13,15-16H2,1H3,(H,23,26)