N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H]3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H28N2O5S/c1-16-7-8-20(13-17(16)2)31(27,28)25-11-9-18(10-12-25)23(26)24-14-19-15-29-21-5-3-4-6-22(21)30-19/h3-8,13,18-19H,9-12,14-15H2,1-2H3,(H,24,26)/t19-/m0/s1