1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazino]-4-(2-thienyl)butane-1,4-dione Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O4S2/c1-18-7-6-14(13-18)26(23,24)20-10-8-19(9-11-20)17(22)5-4-15(21)16-3-2-12-25-16/h2-3,6-7,12-13H,4-5,8-11H2,1H3