N-(1,3-benzodioxol-5-yl)-1-[4-(phenylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(phenylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(phenylsulfanylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[4-[(phenylthio)methyl]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(phenylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(phenylthio)methyl]benzoyl]isonipecotamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4S/c30-26(28-22-10-11-24-25(16-22)33-18-32-24)20-12-14-29(15-13-20)27(31)21-8-6-19(7-9-21)17-34-23-4-2-1-3-5-23/h1-11,16,20H,12-15,17-18H2,(H,28,30)