2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-[[4-(4-phenyl-1-piperidyl)phenyl]sulfonylamino]-3-tritylsulfanyl-propanoic acid CAS Name: 2-[[4-(4-phenyl-1-piperidinyl)phenyl]sulfonylamino]-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]-3-tritylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-phenylpiperidino)phenyl]sulfonylamino]-3-(tritylthio)propionic acid Formula: C39H38N2O4S2 MolecularWeight: 662.86002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C39H38N2O4S2/c42-38(43)37(29-46-39(32-15-7-2-8-16-32,33-17-9-3-10-18-33)34-19-11-4-12-20-34)40-47(44,45)36-23-21-35(22-24-36)41-27-25-31(26-28-41)30-13-5-1-6-14-30/h1-24,31,37,40H,25-29H2,(H,42,43)