[2-azanyl-3-(butylsulfamoyl)-5-ethyl-phenyl] 3-azanyl-3-azanylidene-2-phenylazanyl-propanoate hydrochloride

Systemtic Name: [2-azanyl-3-(butylsulfamoyl)-5-ethyl-phenyl] 3-azanyl-3-azanylidene-2-phenylazanyl-propanoate hydrochloride Openeye Name: [2-amino-3-(butylsulfamoyl)-5-ethyl-phenyl] 3-amino-2-anilino-3-imino-propanoate hydrochloride CAS Name: 3-amino-2-anilino-3-iminopropanoic acid [2-amino-3-(butylsulfamoyl)-5-ethylphenyl] ester hydrochloride IUPAC Name: [2-amino-3-(butylsulfamoyl)-5-ethylphenyl] 3-amino-2-anilino-3-iminopropanoate hydrochloride Traditional Name: 3-amino-2-anilino-3-imino-propionic acid [2-amino-3-(butylsulfamoyl)-5-ethyl-phenyl] ester hydrochloride Formula: C21H30ClN5O4S MolecularWeight: 484.012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=CC(=C1N)OC(=O)C(C(=N)N)NC2=CC=CC=C2)CC.Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=CC(=C1N)OC(=O)C(C(=N)N)NC2=CC=CC=C2)CC.Cl

InChI

InChI=1S/C21H29N5O4S.ClH/c1-3-5-11-25-31(28,29)17-13-14(4-2)12-16(18(17)22)30-21(27)19(20(23)24)26-15-9-7-6-8-10-15;/h6-10,12-13,19,25-26H,3-5,11,22H2,1-2H3,(H3,23,24);1H