(3S)-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[3-(1-piperidylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[3-(1-piperidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(3-piperidinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N2O5S/c23-20(19-14-26-17-9-2-3-10-18(17)27-19)21-15-7-6-8-16(13-15)28(24,25)22-11-4-1-5-12-22/h2-3,6-10,13,19H,1,4-5,11-12,14H2,(H,21,23)/t19-/m0/s1