3-[6-(4-methylpiperazin-1-yl)sulfonylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[6-(4-methylpiperazin-1-yl)sulfonylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-methylpiperazin-1-yl)sulfonylhexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-[(4-methyl-1-piperazinyl)sulfonyl]hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-methylpiperazin-1-yl)sulfonylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-methylpiperazino)sulfonylhexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C20H29N5O4S/c1-24-11-13-25(14-12-24)30(28,29)15-5-3-2-4-8-22-17-18(20(27)19(17)26)23-16-6-9-21-10-7-16/h6-7,9-10,22H,2-5,8,11-15H2,1H3,(H,21,23)