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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-methyl-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-benzyl-5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-methyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-methyl-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-benzyl-5-[(4-bromophenyl)sulfonyl-ethylamino]-N-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-benzyl-5-[brosyl(ethyl)amino]-N-methyl-benzothiophene-2-carboxamide Formula: C25H23BrN2O3S2 MolecularWeight: 543.49572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O3S2/c1-3-28(33(30,31)22-12-9-20(26)10-13-22)21-11-14-23-19(15-21)16-24(32-23)25(29)27(2)17-18-7-5-4-6-8-18/h4-16H,3,17H2,1-2H3