2-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]ethanoyl 2-azanyl-3-[(2-methylphenyl)sulfonylamino]propanoate

Systemtic Name: 2-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]ethanoyl 2-azanyl-3-[(2-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]acetyl] 2-amino-3-(o-tolylsulfonylamino)propanoate CAS Name: 2-amino-3-[(2-methylphenyl)sulfonylamino]propanoic acid [2-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]acetyl] 2-amino-3-[(2-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-amino-3-(o-tolylsulfonylamino)propionic acid [2-[5-(4-amidinophenyl)-1,3,4-thiadiazol-2-yl]acetyl] ester Formula: C21H22N6O5S2 MolecularWeight: 502.56658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NCC(C(=O)OC(=O)CC2=NN=C(S2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NCC(C(=O)OC(=O)CC2=NN=C(S2)C3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C21H22N6O5S2/c1-12-4-2-3-5-16(12)34(30,31)25-11-15(22)21(29)32-18(28)10-17-26-27-20(33-17)14-8-6-13(7-9-14)19(23)24/h2-9,15,25H,10-11,22H2,1H3,(H3,23,24)