5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(2,4,6-trimethylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-mesityl-benzothiophene-2-carboxamide Formula: C25H23BrN2O3S2 MolecularWeight: 543.49572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O3S2/c1-15-11-16(2)24(17(3)12-15)27-25(29)23-14-18-13-20(7-10-22(18)32-23)28(4)33(30,31)21-8-5-19(26)6-9-21/h5-14H,1-4H3,(H,27,29)