N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidino-ethyl]-3-nitro-benzenesulfonamide Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CN1CCCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C23H30N4O4S/c1-25-12-6-7-18-15-19(10-11-22(18)25)23(26-13-3-2-4-14-26)17-24-32(30,31)21-9-5-8-20(16-21)27(28)29/h5,8-11,15-16,23-24H,2-4,6-7,12-14,17H2,1H3