(3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[3-(1-azepanylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O5S/c24-21(20-15-27-18-10-3-4-11-19(18)28-20)22-16-8-7-9-17(14-16)29(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,14,20H,1-2,5-6,12-13,15H2,(H,22,24)/t20-/m0/s1