[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C28H28ClN3O5S MolecularWeight: 554.05702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H28ClN3O5S/c29-25-13-12-23(38(35,36)31-17-15-30(16-18-31)22-9-2-1-3-10-22)19-24(25)28(34)37-20-27(33)32-14-6-8-21-7-4-5-11-26(21)32/h1-5,7,9-13,19H,6,8,14-18,20H2