(2-bromanyl-5-methoxy-phenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br)C

InChI

InChI=1S/C20H23BrN2O4S/c1-14-4-6-17(12-15(14)2)28(25,26)23-10-8-22(9-11-23)20(24)18-13-16(27-3)5-7-19(18)21/h4-7,12-13H,8-11H2,1-3H3