[1-ethanoyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] benzenesulfonate

Systemtic Name: [1-ethanoyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] benzenesulfonate Openeye Name: [1-acetyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] benzenesulfonate CAS Name: benzenesulfonic acid [1-acetyl-5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester IUPAC Name: [1-acetyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-8-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-acetyl-5-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-3,4-dihydro-2H-quinolin-8-yl] ester Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C(C=CC(=C21)OS(=O)(=O)C3=CC=CC=C3)CCN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC(=O)N1CCCC2=C(C=CC(=C21)OS(=O)(=O)C3=CC=CC=C3)CCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H35N3O5S/c1-23(34)33-17-8-11-26-24(14-15-29(30(26)33)38-39(35,36)25-9-4-3-5-10-25)16-18-31-19-21-32(22-20-31)27-12-6-7-13-28(27)37-2/h3-7,9-10,12-15H,8,11,16-22H2,1-2H3