2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]quinoline-8-sulfonamide

Systemtic Name: 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]quinoline-8-sulfonamide Openeye Name: 2-methyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]quinoline-8-sulfonamide CAS Name: 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-8-quinolinesulfonamide IUPAC Name: 2-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]quinoline-8-sulfonamide Traditional Name: 2-methyl-N-[2-(2-thienyl)-2-tosyl-ethyl]quinoline-8-sulfonamide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC3=C2N=C(C=C3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC=CC3=C2N=C(C=C3)C)C4=CC=CS4

InChI

InChI=1S/C23H22N2O4S3/c1-16-8-12-19(13-9-16)31(26,27)22(20-6-4-14-30-20)15-24-32(28,29)21-7-3-5-18-11-10-17(2)25-23(18)21/h3-14,22,24H,15H2,1-2H3