1-[5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3O4S2/c1-10-15(12(3)22)11(2)19-16(10)17(23)20-6-8-21(9-7-20)27(24,25)14-5-4-13(18)26-14/h4-5,19H,6-9H2,1-3H3