phenyl 4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-(1-oxobutylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-butyramido-3-[[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=NC(=O)OC)N

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C19H22N4O6S/c1-3-7-17(24)21-15-11-10-14(12-16(15)22-18(20)23-19(25)28-2)30(26,27)29-13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,21,24)(H3,20,22,23,25)