1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(2-furyl)propan-1-one CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-3-(2-furanyl)-1-propanone IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-3-(2-furyl)propan-1-one Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3)Br

InChI

InChI=1S/C18H21BrN2O4S/c1-14-13-16(5-6-17(14)19)26(23,24)21-10-8-20(9-11-21)18(22)7-4-15-3-2-12-25-15/h2-3,5-6,12-13H,4,7-11H2,1H3