3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C28H33N4O3S+ MolecularWeight: 505.65162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H32N4O3S/c1-21-18-25(31-16-14-30(2)15-17-31)10-11-27(21)29-28(33)23-8-5-9-26(19-23)36(34,35)32-13-12-22-6-3-4-7-24(22)20-32/h3-11,18-19H,12-17,20H2,1-2H3,(H,29,33)/p+1