ethanedioic acid; 1-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-indole

Systemtic Name: ethanedioic acid; 1-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-indole Openeye Name: 3-[(1-benzyl-4-piperidyl)sulfanyl]-1-phenyl-indole; oxalic acid CAS Name: oxalic acid; 1-phenyl-3-[[1-(phenylmethyl)-4-piperidinyl]thio]indole IUPAC Name: 3-(1-benzylpiperidin-4-yl)sulfanyl-1-phenylindole; oxalic acid Traditional Name: 3-[(1-benzyl-4-piperidyl)thio]-1-phenyl-indole; oxalic acid Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CN(C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1SC2=CN(C3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H26N2S.C2H2O4/c1-3-9-21(10-4-1)19-27-17-15-23(16-18-27)29-26-20-28(22-11-5-2-6-12-22)25-14-8-7-13-24(25)26;3-1(4)2(5)6/h1-14,20,23H,15-19H2;(H,3,4)(H,5,6)