[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(methylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(methylsulfonylamino)-3-phenyl-propanoate Openeye Name: [(2-guanidinobenzoyl)amino] 2-(methanesulfonamido)-3-phenyl-propanoate CAS Name: 2-(methanesulfonamido)-3-phenylpropanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino] ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino] 2-(methanesulfonamido)-3-phenylpropanoate Traditional Name: 2-(methanesulfonamido)-3-phenyl-propionic acid [(2-guanidinobenzoyl)amino] ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC=CC=C2N=C(N)N

InChI

InChI=1S/C18H21N5O5S/c1-29(26,27)23-15(11-12-7-3-2-4-8-12)17(25)28-22-16(24)13-9-5-6-10-14(13)21-18(19)20/h2-10,15,23H,11H2,1H3,(H,22,24)(H4,19,20,21)