4-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-quinolin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(4-tosylpiperazine-1-carbonyl)-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C4C=CC(=O)C=C4)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C4C=CC(=O)C=C4)NC5=CC=CC=C53

InChI

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