2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-bromophenyl)sulfonylpiperazino]propan-1-one Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-13-19(16(4)26)14(2)23-20(13)21(27)15(3)24-8-10-25(11-9-24)30(28,29)18-7-5-6-17(22)12-18/h5-7,12,15,23H,8-11H2,1-4H3