(3R)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(2-methyl-5-piperidinosulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O5S/c1-15-9-10-16(29(25,26)23-11-5-2-6-12-23)13-17(15)22-21(24)20-14-27-18-7-3-4-8-19(18)28-20/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3,(H,22,24)/t20-/m1/s1