sulfamoyl 3-[(4-carbamimidoylphenyl)methyl]-2-ethyl-benzoate

Systemtic Name: sulfamoyl 3-[(4-carbamimidoylphenyl)methyl]-2-ethyl-benzoate Openeye Name: sulfamoyl 3-[(4-carbamimidoylphenyl)methyl]-2-ethyl-benzoate CAS Name: 3-[(4-carbamimidoylphenyl)methyl]-2-ethylbenzoic acid sulfamoyl ester IUPAC Name: sulfamoyl 3-[(4-carbamimidoylphenyl)methyl]-2-ethylbenzoate Traditional Name: 3-(4-amidinobenzyl)-2-ethyl-benzoic acid sulfamoyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1CC2=CC=C(C=C2)C(=N)N)C(=O)OS(=O)(=O)N

Isomeric SMILES

CCC1=C(C=CC=C1CC2=CC=C(C=C2)C(=N)N)C(=O)OS(=O)(=O)N

InChI

InChI=1S/C17H19N3O4S/c1-2-14-13(10-11-6-8-12(9-7-11)16(18)19)4-3-5-15(14)17(21)24-25(20,22)23/h3-9H,2,10H2,1H3,(H3,18,19)(H2,20,22,23)