5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(1-methylbutyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(1-methylbutyl)benzothiophene-2-carboxamide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3S2/c1-4-5-14(2)23-21(25)20-13-15-12-17(8-11-19(15)28-20)24(3)29(26,27)18-9-6-16(22)7-10-18/h6-14H,4-5H2,1-3H3,(H,23,25)