5-bromanyl-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-sulfonamide Openeye Name: N-[1-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-5-bromo-thiophene-2-sulfonamide CAS Name: 5-bromo-N-[1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide Traditional Name: N-[1-benzyl-2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-5-bromo-thiophene-2-sulfonamide Formula: C25H28BrN3O3S2 MolecularWeight: 562.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br)C

InChI

InChI=1S/C25H28BrN3O3S2/c1-18-7-6-10-22(19(18)2)28-13-15-29(16-14-28)25(30)21(17-20-8-4-3-5-9-20)27-34(31,32)24-12-11-23(26)33-24/h3-12,21,27H,13-17H2,1-2H3