1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(4-pyrrolidinosulfonylphenyl)thio]ethanone Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O4S2/c1-30-20-6-4-19(5-7-20)24-14-16-25(17-15-24)23(27)18-31-21-8-10-22(11-9-21)32(28,29)26-12-2-3-13-26/h4-11H,2-3,12-18H2,1H3