3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methylpiperazino)sulfonylphenyl]methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O3S/c1-22-12-14-24(15-13-22)28(26,27)20-8-6-18(7-9-20)21(25)23-11-10-17-4-2-3-5-19(17)16-23/h2-9H,10-16H2,1H3