5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-isobutyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-isobutyl-benzothiophene-2-carboxamide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC(C)C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC(C)C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3S2/c1-4-24(29(26,27)18-8-5-16(22)6-9-18)17-7-10-19-15(11-17)12-20(28-19)21(25)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,25)