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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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