[3-[4-[bis(azanyl)methylideneamino]butoxy]-5-methyl-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[4-[bis(azanyl)methylideneamino]butoxy]-5-methyl-phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-(4-guanidinobutoxy)-5-methyl-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[4-(diaminomethylideneamino)butoxy]-5-methylphenyl] ester IUPAC Name: [3-[4-(diaminomethylideneamino)butoxy]-5-methylphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(4-guanidinobutoxy)-5-methyl-phenyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)OCCCCN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)OCCCCN=C(N)N

InChI

InChI=1S/C19H25N3O5S/c1-14-11-16(26-10-4-3-9-22-19(20)21)13-17(12-14)27-28(23,24)18-7-5-15(25-2)6-8-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H4,20,21,22)