[3-[bis(azanyl)methylideneamino]oxy-1-phenoxy-propyl] 5-methyl-2-(oxidanylamino)benzenesulfonate

Systemtic Name: [3-[bis(azanyl)methylideneamino]oxy-1-phenoxy-propyl] 5-methyl-2-(oxidanylamino)benzenesulfonate Openeye Name: (3-guanidinooxy-1-phenoxy-propyl) 2-(hydroxyamino)-5-methyl-benzenesulfonate CAS Name: 2-(hydroxyamino)-5-methylbenzenesulfonic acid [3-(diaminomethylideneamino)oxy-1-phenoxypropyl] ester IUPAC Name: [3-(diaminomethylideneamino)oxy-1-phenoxypropyl] 2-(hydroxyamino)-5-methylbenzenesulfonate Traditional Name: 2-(hydroxyamino)-5-methyl-benzenesulfonic acid (3-guanidinooxy-1-phenoxy-propyl) ester Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NO)S(=O)(=O)OC(CCON=C(N)N)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)NO)S(=O)(=O)OC(CCON=C(N)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O6S/c1-12-7-8-14(20-22)15(11-12)28(23,24)27-16(9-10-25-21-17(18)19)26-13-5-3-2-4-6-13/h2-8,11,16,20,22H,9-10H2,1H3,(H4,18,19,21)