methyl 2-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-methyl-3-piperidinosulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-16-10-11-17(14-20(16)31(28,29)25-12-6-3-7-13-25)23-15-21(26)24-19-9-5-4-8-18(19)22(27)30-2/h4-5,8-11,14,23H,3,6-7,12-13,15H2,1-2H3,(H,24,26)