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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(4-benzhydrylpiperazino)sulfonyl-3-pyrrolidino-1,4-naphthoquinone Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H31N3O4S/c35-29-25-15-7-8-16-26(25)30(36)31(28(29)32-17-9-10-18-32)39(37,38)34-21-19-33(20-22-34)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,9-10,17-22H2