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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(4-butylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(4-butylphenyl)benzothiophene-2-carboxamide Formula: C27H27BrN2O3S2 MolecularWeight: 571.54888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H27BrN2O3S2/c1-3-5-6-19-7-11-22(12-8-19)29-27(31)26-18-20-17-23(13-16-25(20)34-26)30(4-2)35(32,33)24-14-9-21(28)10-15-24/h7-18H,3-6H2,1-2H3,(H,29,31)