3-bromanyl-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-29-17-5-7-18(8-6-17)30(27,28)24-11-9-23(10-12-24)19(25)14-22-20(26)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)