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

Systemtic Name: 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[4-(4-phenyl-1-piperidyl)phenyl]sulfonylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[4-(4-phenyl-1-piperidinyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[4-(4-phenylpiperidino)phenyl]sulfonylamino]propionic acid Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CS)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CS)C(=O)O

InChI

InChI=1S/C20H24N2O4S2/c23-20(24)19(14-27)21-28(25,26)18-8-6-17(7-9-18)22-12-10-16(11-13-22)15-4-2-1-3-5-15/h1-9,16,19,21,27H,10-14H2,(H,23,24)