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

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino] 2-(butylsulfonylamino)-3-phenyl-propanoate Openeye Name: [(2-guanidinobenzoyl)amino] 2-(butylsulfonylamino)-3-phenyl-propanoate CAS Name: 2-(butylsulfonylamino)-3-phenylpropanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino] ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino] 2-(butylsulfonylamino)-3-phenylpropanoate Traditional Name: 2-(butylsulfonylamino)-3-phenyl-propionic acid [(2-guanidinobenzoyl)amino] ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-2-3-13-32(29,30)26-18(14-15-9-5-4-6-10-15)20(28)31-25-19(27)16-11-7-8-12-17(16)24-21(22)23/h4-12,18,26H,2-3,13-14H2,1H3,(H,25,27)(H4,22,23,24)