N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylbenzothiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylbenzothiophene-2-carbonyl)isonipecotamide Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O4S/c1-14-17-4-2-3-5-20(17)30-21(14)23(27)25-10-8-15(9-11-25)22(26)24-16-6-7-18-19(12-16)29-13-28-18/h2-7,12,15H,8-11,13H2,1H3,(H,24,26)