methyl 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-methyl-5-piperidinosulfonyl-anilino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H29N3O5S/c1-17-6-11-20(32(29,30)26-12-4-3-5-13-26)14-21(17)24-16-22(27)25-15-18-7-9-19(10-8-18)23(28)31-2/h6-11,14,24H,3-5,12-13,15-16H2,1-2H3,(H,25,27)