butyl 4-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1-methylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1-methylsulfonylpiperidine-3-carbonyl)amino]benzoate CAS Name: 4-[[(1-methylsulfonyl-3-piperidinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-methylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-mesylnipecotoyl)amino]benzoic acid butyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-3-4-12-25-18(22)14-7-9-16(10-8-14)19-17(21)15-6-5-11-20(13-15)26(2,23)24/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,21)