4-[[2-(1,5-diphenylpentan-3-yloxycarbonyl)piperidin-1-yl]carbonyl-methyl-amino]benzenesulfonic acid

Systemtic Name: 4-[[2-(1,5-diphenylpentan-3-yloxycarbonyl)piperidin-1-yl]carbonyl-methyl-amino]benzenesulfonic acid Openeye Name: 4-[methyl-[2-(1-phenethyl-3-phenyl-propoxy)carbonylpiperidine-1-carbonyl]amino]benzenesulfonic acid CAS Name: 4-[[[2-[1,5-diphenylpentan-3-yloxy(oxo)methyl]-1-piperidinyl]-oxomethyl]-methylamino]benzenesulfonic acid IUPAC Name: 4-[[2-(1,5-diphenylpentan-3-yloxycarbonyl)piperidine-1-carbonyl]-methylamino]benzenesulfonic acid Traditional Name: 4-[methyl-[2-(1-phenethyl-3-phenyl-propoxy)carbonylpiperidine-1-carbonyl]amino]besylic acid Formula: C31H36N2O6S MolecularWeight: 564.69234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)N2CCCCC2C(=O)OC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)N2CCCCC2C(=O)OC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O6S/c1-32(26-17-21-28(22-18-26)40(36,37)38)31(35)33-23-9-8-14-29(33)30(34)39-27(19-15-24-10-4-2-5-11-24)20-16-25-12-6-3-7-13-25/h2-7,10-13,17-18,21-22,27,29H,8-9,14-16,19-20,23H2,1H3,(H,36,37,38)