(1-methoxy-1-oxidanylidene-propan-2-yl) 2-carbamimidoyl-3-[2-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl]hydrazinyl]benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 2-carbamimidoyl-3-[2-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl]hydrazinyl]benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 2-carbamimidoyl-3-[2-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl]hydrazino]benzoate CAS Name: 2-carbamimidoyl-3-[[[4-(2-methylsulfonylphenyl)anilino]-oxomethyl]hydrazo]benzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 2-carbamimidoyl-3-[2-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl]hydrazinyl]benzoate Traditional Name: 2-amidino-3-[N'-[[4-(2-mesylphenyl)phenyl]carbamoyl]hydrazino]benzoic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C26H27N5O7S MolecularWeight: 553.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=C(C(=CC=C1)NNC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)C(=N)N

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=C(C(=CC=C1)NNC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)C(=N)N

InChI

InChI=1S/C26H27N5O7S/c1-15(24(32)37-2)38-25(33)19-8-6-9-20(22(19)23(27)28)30-31-26(34)29-17-13-11-16(12-14-17)18-7-4-5-10-21(18)39(3,35)36/h4-15,30H,1-3H3,(H3,27,28)(H2,29,31,34)