1-[4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)N4C=CC=C4)C

InChI

InChI=1S/C23H25N3O4S2/c1-16-18(3)31-23(25-10-4-5-11-25)21(16)22(28)24-12-14-26(15-13-24)32(29,30)20-8-6-19(7-9-20)17(2)27/h4-11H,12-15H2,1-3H3