3-[[4-chloranyl-3-(4-methylpiperazin-1-yl)sulfonyl-2-oxidanyl-phenyl]amino]-4-(thiolan-3-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-chloranyl-3-(4-methylpiperazin-1-yl)sulfonyl-2-oxidanyl-phenyl]amino]-4-(thiolan-3-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonyl-anilino]-4-(tetrahydrothiophen-3-ylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[4-chloro-2-hydroxy-3-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-(3-thiolanylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-(thiolan-3-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-chloro-2-hydroxy-3-(4-methylpiperazino)sulfonyl-anilino]-4-(tetrahydrothiophen-3-ylamino)cyclobut-3-ene-1,2-quinone Formula: C19H23ClN4O5S2 MolecularWeight: 486.99272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4CCSC4)Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4CCSC4)Cl

InChI

InChI=1S/C19H23ClN4O5S2/c1-23-5-7-24(8-6-23)31(28,29)19-12(20)2-3-13(16(19)25)22-15-14(17(26)18(15)27)21-11-4-9-30-10-11/h2-3,11,21-22,25H,4-10H2,1H3