[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

Systemtic Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Openeye Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-yl-2-thienyl)methanone CAS Name: [4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-[3-(1-pyrrolyl)-2-thiophenyl]methanone IUPAC Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Traditional Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazino]-(3-pyrrol-1-yl-2-thienyl)methanone Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)OCC

InChI

InChI=1S/C23H27N3O5S2/c1-3-30-20-8-7-18(17-21(20)31-4-2)33(28,29)26-14-12-25(13-15-26)23(27)22-19(9-16-32-22)24-10-5-6-11-24/h5-11,16-17H,3-4,12-15H2,1-2H3