5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-isopentyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-isoamyl-benzothiophene-2-carboxamide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3S2/c1-14(2)10-11-23-21(25)20-13-15-12-17(6-9-19(15)28-20)24(3)29(26,27)18-7-4-16(22)5-8-18/h4-9,12-14H,10-11H2,1-3H3,(H,23,25)