1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-3-methyl-but-2-en-1-one Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O3S/c1-12(2)10-16(20)18-6-8-19(9-7-18)23(21,22)14-4-5-15(17)13(3)11-14/h4-5,10-11H,6-9H2,1-3H3