(2-methylquinolin-8-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-methylquinolin-8-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-methyl-8-quinolyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-methyl-8-quinolyl) ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C27H25N3O4S/c1-20-13-14-21-7-6-12-25(26(21)28-20)34-27(31)22-8-5-11-24(19-22)35(32,33)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,19H,15-18H2,1H3