N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-N-tosyl-benzenesulfonamide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H22N2O4S3/c1-16-7-11-18(12-8-16)31(26,27)25(32(28,29)19-13-9-17(2)10-14-19)23-21(15-24)20-5-3-4-6-22(20)30-23/h7-14H,3-6H2,1-2H3