1-methyl-3-(4-methylphenyl)sulfonyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 1-methyl-3-(4-methylphenyl)sulfonyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-methyl-3-(p-tolylsulfonyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-methyl-3-(4-methylphenyl)sulfonyl-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-methyl-3-(4-methylphenyl)sulfonyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-methyl-4-[4-(2-thenoyl)piperazino]-3-tosyl-carbostyril Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N(C2=O)C)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N(C2=O)C)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H25N3O4S2/c1-18-9-11-19(12-10-18)35(32,33)24-23(20-6-3-4-7-21(20)27(2)26(24)31)28-13-15-29(16-14-28)25(30)22-8-5-17-34-22/h3-12,17H,13-16H2,1-2H3