phenyl 4-acetamido-3-[2-methylpropoxycarbonyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-acetamido-3-[2-methylpropoxycarbonyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[isobutoxycarbonyl-[(E)-N'-isobutoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(E)-amino-[2-methylpropoxy(oxo)methyl]iminomethyl]-[2-methylpropoxy(oxo)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[2-methylpropoxycarbonyl-[(E)-N'-(2-methylpropoxycarbonyl)carbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[isobutoxycarbonyl-[(E)-N'-isobutoxycarbonylamidino]amino]benzenesulfonic acid phenyl ester Formula: C25H32N4O8S MolecularWeight: 548.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N=C(N)N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCC(C)C

Isomeric SMILES

CC(C)COC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=O)OCC(C)C

InChI

InChI=1S/C25H32N4O8S/c1-16(2)14-35-24(31)28-23(26)29(25(32)36-15-17(3)4)22-13-20(11-12-21(22)27-18(5)30)38(33,34)37-19-9-7-6-8-10-19/h6-13,16-17H,14-15H2,1-5H3,(H,27,30)(H2,26,28,31)