[2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-4-methyl-phenyl] 3-[(4-phenylphenyl)methoxy]benzenesulfonate

Systemtic Name: [2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-4-methyl-phenyl] 3-[(4-phenylphenyl)methoxy]benzenesulfonate Openeye Name: [2-(3-guanidinooxypropoxy)-4-methyl-phenyl] 3-[(4-phenylphenyl)methoxy]benzenesulfonate CAS Name: 3-[(4-phenylphenyl)methoxy]benzenesulfonic acid [2-[3-(diaminomethylideneamino)oxypropoxy]-4-methylphenyl] ester IUPAC Name: [2-[3-(diaminomethylideneamino)oxypropoxy]-4-methylphenyl] 3-[(4-phenylphenyl)methoxy]benzenesulfonate Traditional Name: 3-(4-phenylbenzyl)oxybenzenesulfonic acid [2-(3-guanidinooxypropoxy)-4-methyl-phenyl] ester Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)OCCCON=C(N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)OCCCON=C(N)N

InChI

InChI=1S/C30H31N3O6S/c1-22-11-16-28(29(19-22)36-17-6-18-38-33-30(31)32)39-40(34,35)27-10-5-9-26(20-27)37-21-23-12-14-25(15-13-23)24-7-3-2-4-8-24/h2-5,7-16,19-20H,6,17-18,21H2,1H3,(H4,31,32,33)