(3-phenylpropanoylamino) 2-[[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]methyl]butanoate

Systemtic Name: (3-phenylpropanoylamino) 2-[[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]methyl]butanoate Openeye Name: (3-phenylpropanoylamino) 2-[[3-[(3-guanidinophenyl)sulfonylamino]phenyl]methyl]butanoate CAS Name: 2-[[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]methyl]butanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-[[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]methyl]butanoate Traditional Name: 2-[3-[(3-guanidinophenyl)sulfonylamino]benzyl]butyric acid (hydrocinnamoylamino) ester Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C(N)N)C(=O)ONC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C(N)N)C(=O)ONC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H31N5O5S/c1-2-21(26(34)37-31-25(33)15-14-19-8-4-3-5-9-19)16-20-10-6-12-23(17-20)32-38(35,36)24-13-7-11-22(18-24)30-27(28)29/h3-13,17-18,21,32H,2,14-16H2,1H3,(H,31,33)(H4,28,29,30)