bis(azanyl)methylidene-[4-[2-[[3-ethanoyl-2-[(4-methoxyphenyl)methoxycarbonyl]phenyl]carbamoyl]phenoxy]carbonylphenyl]azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-[4-[2-[[3-ethanoyl-2-[(4-methoxyphenyl)methoxycarbonyl]phenyl]carbamoyl]phenoxy]carbonylphenyl]azanium; methanesulfonate Openeye Name: [4-[2-[[3-acetyl-2-[(4-methoxyphenyl)methoxycarbonyl]phenyl]carbamoyl]phenoxy]carbonylphenyl]-(diaminomethylene)ammonium; methanesulfonate CAS Name: [4-[[2-[[3-acetyl-2-[(4-methoxyphenyl)methoxy-oxomethyl]anilino]-oxomethyl]phenoxy]-oxomethyl]phenyl]-(diaminomethylidene)ammonium; methanesulfonate IUPAC Name: [4-[2-[[3-acetyl-2-[(4-methoxyphenyl)methoxycarbonyl]phenyl]carbamoyl]phenoxy]carbonylphenyl]-(diaminomethylidene)azanium; methanesulfonate Traditional Name: [4-[2-[(3-acetyl-2-p-anisyloxycarbonyl-phenyl)carbamoyl]phenoxy]carbonylphenyl]-(diaminomethylene)ammonium mesylate Formula: C33H32N4O10S MolecularWeight: 676.69298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[NH+]=C(N)N)C(=O)OCC4=CC=C(C=C4)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[NH+]=C(N)N)C(=O)OCC4=CC=C(C=C4)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C32H28N4O7.CH4O3S/c1-19(37)24-7-5-8-26(28(24)31(40)42-18-20-10-16-23(41-2)17-11-20)36-29(38)25-6-3-4-9-27(25)43-30(39)21-12-14-22(15-13-21)35-32(33)34;1-5(2,3)4/h3-17H,18H2,1-2H3,(H,36,38)(H4,33,34,35);1H3,(H,2,3,4)