(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-tosylpiperazino)methanone Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-4-29-20-18(22)13-16(14-19(20)28-3)21(25)23-9-11-24(12-10-23)30(26,27)17-7-5-15(2)6-8-17/h5-8,13-14H,4,9-12H2,1-3H3