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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-3-piperidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-(1-piperidyl)naphthalene-1,4-dione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-3-(1-piperidinyl)naphthalene-1,4-dione IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-piperidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(4-benzhydrylpiperazino)sulfonyl-3-piperidino-1,4-naphthoquinone Formula: C32H33N3O4S MolecularWeight: 555.68712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C32H33N3O4S/c36-30-26-16-8-9-17-27(26)31(37)32(29(30)33-18-10-3-11-19-33)40(38,39)35-22-20-34(21-23-35)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-9,12-17,28H,3,10-11,18-23H2