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

Systemtic Name: [4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]phenyl] benzenesulfonate Openeye Name: [4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]-methylamino]-4-(1-oxobutylamino)phenyl] ester IUPAC Name: [4-(butanoylamino)-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-butyramido-3-[[(Z)-N'-carbomethoxyamidino]-methyl-amino]phenyl] ester Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-4-8-18(25)22-16-12-11-14(30-31(27,28)15-9-6-5-7-10-15)13-17(16)24(2)19(21)23-20(26)29-3/h5-7,9-13H,4,8H2,1-3H3,(H,22,25)(H2,21,23,26)