4-[4-[3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-[4-[3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-[4-[2-hydroxy-3-(p-tolylsulfonylamino)propoxy]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-[4-[2-hydroxy-3-[(4-methylphenyl)sulfonylamino]propoxy]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-[4-[2-hydroxy-3-[(4-methylphenyl)sulfonylamino]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[4-[2-hydroxy-3-(tosylamino)propoxy]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C33H35N2O7S- MolecularWeight: 603.7052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC2=CC=C(C=C2)C3CCN(CC3OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC2=CC=C(C=C2)C3CCN(CC3OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-])O

InChI

InChI=1S/C33H36N2O7S/c1-23-6-14-30(15-7-23)43(39,40)34-19-28(36)22-41-29-12-10-26(11-13-29)31-16-17-35(33(37)38)20-32(31)42-21-24-8-9-25-4-2-3-5-27(25)18-24/h2-15,18,28,31-32,34,36H,16-17,19-22H2,1H3,(H,37,38)/p-1