ethyl 3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]-3-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoate

Systemtic Name: ethyl 3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]-3-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoate Openeye Name: ethyl 3-[3-[(3-guanidinophenyl)sulfonylamino]phenyl]-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate CAS Name: 3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate Traditional Name: 3-[3-[(3-guanidinophenyl)sulfonylamino]phenyl]-3-[(2-mesitylacetyl)amino]propionic acid ethyl ester Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C(N)N)NC(=O)CC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C(N)N)NC(=O)CC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C29H35N5O5S/c1-5-39-28(36)17-26(33-27(35)16-25-19(3)12-18(2)13-20(25)4)21-8-6-10-23(14-21)34-40(37,38)24-11-7-9-22(15-24)32-29(30)31/h6-15,26,34H,5,16-17H2,1-4H3,(H,33,35)(H4,30,31,32)