5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-propan-2-yloxypropyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-propan-2-yloxypropyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-isopropoxypropyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(3-isopropoxypropyl)benzothiophene-2-carboxamide Formula: C22H25BrN2O4S2 MolecularWeight: 525.4789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O4S2/c1-15(2)29-12-4-11-24-22(26)21-14-16-13-18(7-10-20(16)30-21)25(3)31(27,28)19-8-5-17(23)6-9-19/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,26)