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

Systemtic Name: 3-[[4-chloranyl-3-(4-methylpiperazin-1-yl)sulfonyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonyl-anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[(4-methyl-1-piperazinyl)sulfonyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(4-methylpiperazino)sulfonyl-anilino]cyclobut-3-ene-1,2-quinone Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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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)NC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-25-9-11-26(12-10-25)32(30,31)21-14(22)7-8-15(18(21)27)24-17-16(19(28)20(17)29)23-13-5-3-2-4-6-13/h2-8,23-24,27H,9-12H2,1H3