3-[(4-chloranyl-2-oxidanyl-3-piperazin-1-ylsulfonyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(4-chloranyl-2-oxidanyl-3-piperazin-1-ylsulfonyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonyl-anilino)cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[4-chloro-2-hydroxy-3-(1-piperazinylsulfonyl)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-(4-chloro-2-hydroxy-3-piperazinosulfonyl-anilino)cyclobut-3-ene-1,2-quinone Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H19ClN4O5S/c21-13-6-7-14(17(26)20(13)31(29,30)25-10-8-22-9-11-25)24-16-15(18(27)19(16)28)23-12-4-2-1-3-5-12/h1-7,22-24,26H,8-11H2