methyl 3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-methyl-5-piperidinosulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O5S/c1-16-9-10-19(31(28,29)25-11-4-3-5-12-25)14-20(16)23-15-21(26)24-18-8-6-7-17(13-18)22(27)30-2/h6-10,13-14,23H,3-5,11-12,15H2,1-2H3,(H,24,26)