ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-(methylsulfonylamino)hex-4-ynoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6-(methylsulfonylamino)hex-4-ynoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-6-(methanesulfonamido)hex-4-ynoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-6-(methanesulfonamido)-4-hexynoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-6-(methanesulfonamido)hex-4-ynoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-6-(methanesulfonamido)hex-4-ynoic acid ethyl ester Formula: C20H27N5O6S MolecularWeight: 465.52328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#CCNS(=O)(=O)C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C#CCNS(=O)(=O)C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C20H27N5O6S/c1-3-31-19(28)13-16(5-4-12-23-32(2,29)30)25-18(27)11-10-17(26)24-15-8-6-14(7-9-15)20(21)22/h6-9,16,23H,3,10-13H2,1-2H3,(H3,21,22)(H,24,26)(H,25,27)