N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C24H33N5O4S MolecularWeight: 487.61492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H33N5O4S/c1-24(2,27-11-10-19-6-4-5-7-20(19)17-27)18-25-22-9-8-21(16-23(22)29(30)31)34(32,33)28-14-12-26(3)13-15-28/h4-9,16,25H,10-15,17-18H2,1-3H3