3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide

Systemtic Name: 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide Openeye Name: 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)-1H-indole-5-carboxamide CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide IUPAC Name: 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide Traditional Name: 3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-N-tosyl-1H-indole-5-carboxamide Formula: C28H29ClN2O3S2 MolecularWeight: 541.12446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)NC(=C3CC4=C(C=C(C=C4)SC(C)(C)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)NC(=C3CC4=C(C=C(C=C4)SC(C)(C)C)Cl)C

InChI

InChI=1S/C28H29ClN2O3S2/c1-17-6-11-22(12-7-17)36(33,34)31-27(32)20-9-13-26-24(15-20)23(18(2)30-26)14-19-8-10-21(16-25(19)29)35-28(3,4)5/h6-13,15-16,30H,14H2,1-5H3,(H,31,32)