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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-piperidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-(1-piperidyl)naphthalene-1,4-dione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-3-(1-piperidinyl)naphthalene-1,4-dione IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-piperidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]sulfonyl-3-piperidino-1,4-naphthoquinone Formula: C26H29N3O5S MolecularWeight: 495.59056

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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)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=O)C4=CC=CC=C4C3=O)N5CCCCC5

InChI

InChI=1S/C26H29N3O5S/c1-34-20-11-9-19(10-12-20)27-15-17-29(18-16-27)35(32,33)26-23(28-13-5-2-6-14-28)24(30)21-7-3-4-8-22(21)25(26)31/h3-4,7-12H,2,5-6,13-18H2,1H3