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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methyl-N-tosyl-benzenesulfonamide Formula: C27H30N2O4S3 MolecularWeight: 542.7331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C3=C(S2)CC(CC3)C(C)(C)C)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)CC(CC3)C(C)(C)C)C#N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N2O4S3/c1-18-6-11-21(12-7-18)35(30,31)29(36(32,33)22-13-8-19(2)9-14-22)26-24(17-28)23-15-10-20(27(3,4)5)16-25(23)34-26/h6-9,11-14,20H,10,15-16H2,1-5H3