methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidine-2-carboxylate

Systemtic Name: methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-azetidine-2-carboxylate Openeye Name: methyl 3-(3-guanidinopropyl)-4-oxo-1-(p-tolylsulfonyl)azetidine-2-carboxylate CAS Name: 3-[3-(diaminomethylideneamino)propyl]-1-(4-methylphenyl)sulfonyl-4-oxo-2-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(diaminomethylideneamino)propyl]-1-(4-methylphenyl)sulfonyl-4-oxoazetidine-2-carboxylate Traditional Name: 3-(3-guanidinopropyl)-4-keto-1-tosyl-azetidine-2-carboxylic acid methyl ester Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C16H22N4O5S/c1-10-5-7-11(8-6-10)26(23,24)20-13(15(22)25-2)12(14(20)21)4-3-9-19-16(17)18/h5-8,12-13H,3-4,9H2,1-2H3,(H4,17,18,19)