N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonylphenyl]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O4S/c1-17(27)24-21-6-8-22(9-7-21)31(29,30)26-14-11-19(12-15-26)23(28)25-13-10-18-4-2-3-5-20(18)16-25/h2-9,19H,10-16H2,1H3,(H,24,27)