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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-cyclohexyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-cyclohexyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclohexyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclohexyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-cyclohexyl-benzothiophene-2-carboxamide Formula: C22H23BrN2O3S2 MolecularWeight: 507.46362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O3S2/c1-25(30(27,28)19-10-7-16(23)8-11-19)18-9-12-20-15(13-18)14-21(29-20)22(26)24-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,24,26)