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

Systemtic Name: 3-[[4-chloranyl-3-[(4-methyl-1,4-diazepan-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-methyl-1,4-diazepan-1-yl)sulfonyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[4-chloro-2-hydroxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C22H23ClN4O5S MolecularWeight: 490.95982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O5S/c1-26-10-5-11-27(13-12-26)33(31,32)22-15(23)8-9-16(19(22)28)25-18-17(20(29)21(18)30)24-14-6-3-2-4-7-14/h2-4,6-9,24-25,28H,5,10-13H2,1H3