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

Systemtic Name: 2-(diethylamino)-3-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-(diethylamino)naphthalene-1,4-dione CAS Name: 2-(diethylamino)-3-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)sulfonyl-3-(diethylamino)naphthalene-1,4-dione Traditional Name: 2-(4-benzhydrylpiperazino)sulfonyl-3-(diethylamino)-1,4-naphthoquinone Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O4S/c1-3-32(4-2)28-29(35)25-17-11-12-18-26(25)30(36)31(28)39(37,38)34-21-19-33(20-22-34)27(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,27H,3-4,19-22H2,1-2H3