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

Systemtic Name: [3-[bis(azanyl)methylideneamino]oxy-1-phenoxy-propyl] 2-azanyl-5-methyl-benzenesulfonate Openeye Name: (3-guanidinooxy-1-phenoxy-propyl) 2-amino-5-methyl-benzenesulfonate CAS Name: 2-amino-5-methylbenzenesulfonic acid [3-(diaminomethylideneamino)oxy-1-phenoxypropyl] ester IUPAC Name: [3-(diaminomethylideneamino)oxy-1-phenoxypropyl] 2-amino-5-methylbenzenesulfonate Traditional Name: 2-amino-5-methyl-benzenesulfonic acid (3-guanidinooxy-1-phenoxy-propyl) ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)S(=O)(=O)OC(CCON=C(N)N)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)N)S(=O)(=O)OC(CCON=C(N)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O5S/c1-12-7-8-14(18)15(11-12)27(22,23)26-16(9-10-24-21-17(19)20)25-13-5-3-2-4-6-13/h2-8,11,16H,9-10,18H2,1H3,(H4,19,20,21)