methyl 2-[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H27N3O7S/c1-16(26)23-17-9-11-18(12-10-17)33(29,30)25(13-6-14-31-2)15-21(27)24-20-8-5-4-7-19(20)22(28)32-3/h4-5,7-12H,6,13-15H2,1-3H3,(H,23,26)(H,24,27)