methanesulfonic acid; methyl (5Z)-5-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-6-oxidanyl-hexanoate

Systemtic Name: methanesulfonic acid; methyl (5Z)-5-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-6-oxidanyl-hexanoate Openeye Name: methanesulfonic acid; methyl (5Z)-5-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-6-hydroxy-hexanoate CAS Name: (5Z)-5-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-6-hydroxyhexanoic acid methyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; methyl (5Z)-5-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-6-hydroxyhexanoate Traditional Name: (5Z)-5-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-6-hydroxy-hexanoic acid methyl ester; mesylic acid Formula: C23H27ClN4O6S MolecularWeight: 523.00168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)CO.CS(=O)(=O)O

Isomeric SMILES

COC(=O)CCC/C(=N/NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/CO.CS(=O)(=O)O

InChI

InChI=1S/C22H23ClN4O3.CH4O3S/c1-30-21(29)9-5-8-17(14-28)26-27-20-13-24-22(15-6-3-2-4-7-15)18-12-16(23)10-11-19(18)25-20;1-5(2,3)4/h2-4,6-7,10-12,28H,5,8-9,13-14H2,1H3,(H,25,27);1H3,(H,2,3,4)/b26-17-;