4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c25-21(23-20-10-8-19(9-11-20)22(26)27)18-12-14-24(15-13-18)30(28,29)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,23,25)(H,26,27)