[[(E)-N-methyl-N'-phenoxy-N-propoxy-carbamimidoyl]amino] benzenesulfonate

Systemtic Name: [[(E)-N-methyl-N'-phenoxy-N-propoxy-carbamimidoyl]amino] benzenesulfonate Openeye Name: [[(E)-N-methyl-N'-phenoxy-N-propoxy-carbamimidoyl]amino] benzenesulfonate CAS Name: benzenesulfonic acid [[(E)-[methyl(propoxy)amino]-phenoxyiminomethyl]amino] ester IUPAC Name: [[(E)-N-methyl-N'-phenoxy-N-propoxycarbamimidoyl]amino] benzenesulfonate Traditional Name: benzenesulfonic acid [[(E)-N-methyl-N'-phenoxy-N-propoxy-amidino]amino] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C)C(=NOC1=CC=CC=C1)NOS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCON(C)/C(=N/OC1=CC=CC=C1)/NOS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O5S/c1-3-14-23-20(2)17(18-24-15-10-6-4-7-11-15)19-25-26(21,22)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,18,19)