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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N,N-bis(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N,N-dibenzyl-5-[(4-bromophenyl)sulfonyl-ethyl-amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N,N-bis(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N,N-dibenzyl-5-[(4-bromophenyl)sulfonyl-ethylamino]-1-benzothiophene-2-carboxamide Traditional Name: N,N-dibenzyl-5-[brosyl(ethyl)amino]benzothiophene-2-carboxamide Formula: C31H27BrN2O3S2 MolecularWeight: 619.59168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H27BrN2O3S2/c1-2-34(39(36,37)28-16-13-26(32)14-17-28)27-15-18-29-25(19-27)20-30(38-29)31(35)33(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-20H,2,21-22H2,1H3