2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]sulfonyl-3-pyrrolidino-1,4-naphthoquinone Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=O)C4=CC=CC=C4C3=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=O)C4=CC=CC=C4C3=O)N5CCCC5

InChI

InChI=1S/C25H27N3O5S/c1-33-19-10-8-18(9-11-19)26-14-16-28(17-15-26)34(31,32)25-22(27-12-4-5-13-27)23(29)20-6-2-3-7-21(20)24(25)30/h2-3,6-11H,4-5,12-17H2,1H3