N-butan-2-yl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazino]-N-sec-butyl-acetamide Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H30N4O3S/c1-3-16(2)20-19(24)15-21-10-12-22(13-11-21)27(25,26)23-9-8-17-6-4-5-7-18(17)14-23/h4-7,16H,3,8-15H2,1-2H3,(H,20,24)