ethanedioic acid; N-(4-phenylsulfanylbutyl)cyclopentanamine

Systemtic Name: ethanedioic acid; N-(4-phenylsulfanylbutyl)cyclopentanamine Openeye Name: oxalic acid; N-(4-phenylsulfanylbutyl)cyclopentanamine CAS Name: oxalic acid; N-[4-(phenylthio)butyl]cyclopentanamine IUPAC Name: oxalic acid; N-(4-phenylsulfanylbutyl)cyclopentanamine Traditional Name: cyclopentyl-[4-(phenylthio)butyl]amine; oxalic acid Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)NCCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23NS.C2H2O4/c1-2-10-15(11-3-1)17-13-7-6-12-16-14-8-4-5-9-14;3-1(4)2(5)6/h1-3,10-11,14,16H,4-9,12-13H2;(H,3,4)(H,5,6)