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

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(4-besylpiperazino)-3-pyrrolidino-1,4-naphthoquinone Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O4S/c28-23-19-10-4-5-11-20(19)24(29)22(21(23)25-12-6-7-13-25)26-14-16-27(17-15-26)32(30,31)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2