5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C23H20BrN3O3S2 MolecularWeight: 530.4572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O3S2/c1-2-27(32(29,30)20-8-5-18(24)6-9-20)19-7-10-21-17(12-19)13-22(31-21)23(28)26-15-16-4-3-11-25-14-16/h3-14H,2,15H2,1H3,(H,26,28)