methyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-15-6-7-17(14-19(15)29(26,27)23-12-4-3-5-13-23)20(24)22-18-10-8-16(9-11-18)21(25)28-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,24)