3-[[4-chloranyl-2-oxidanyl-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione hydrochloride

Systemtic Name: 3-[[4-chloranyl-2-oxidanyl-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione hydrochloride Openeye Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]anilino]cyclobut-3-ene-1,2-dione hydrochloride CAS Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]anilino]cyclobut-3-ene-1,2-dione hydrochloride IUPAC Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylanilino]cyclobut-3-ene-1,2-dione hydrochloride Traditional Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(4-piperidinopiperidino)sulfonyl-anilino]cyclobut-3-ene-1,2-quinone hydrochloride Formula: C26H30Cl2N4O5S MolecularWeight: 581.5112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3O)NC4=C(C(=O)C4=O)NC5=CC=CC=C5)Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3O)NC4=C(C(=O)C4=O)NC5=CC=CC=C5)Cl.Cl

InChI

InChI=1S/C26H29ClN4O5S.ClH/c27-19-9-10-20(29-22-21(24(33)25(22)34)28-17-7-3-1-4-8-17)23(32)26(19)37(35,36)31-15-11-18(12-16-31)30-13-5-2-6-14-30;/h1,3-4,7-10,18,28-29,32H,2,5-6,11-16H2;1H