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

Systemtic Name: (3S)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(3-pyrrolidinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N2O5S/c22-19(18-13-25-16-8-1-2-9-17(16)26-18)20-14-6-5-7-15(12-14)27(23,24)21-10-3-4-11-21/h1-2,5-9,12,18H,3-4,10-11,13H2,(H,20,22)/t18-/m0/s1