(E)-but-2-enedioic acid; 4-(4-chlorophenyl)sulfanyl-1-(phenylmethyl)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-chlorophenyl)sulfanyl-1-(phenylmethyl)piperidine Openeye Name: 1-benzyl-4-(4-chlorophenyl)sulfanyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-chlorophenyl)thio]-1-(phenylmethyl)piperidine IUPAC Name: 1-benzyl-4-(4-chlorophenyl)sulfanylpiperidine; (E)-but-2-enedioic acid Traditional Name: 1-benzyl-4-[(4-chlorophenyl)thio]piperidine; fumaric acid Formula: C22H24ClNO4S MolecularWeight: 433.94826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1SC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20ClNS.C4H4O4/c19-16-6-8-17(9-7-16)21-18-10-12-20(13-11-18)14-15-4-2-1-3-5-15;5-3(6)1-2-4(7)8/h1-9,18H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+