N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c24-21(16-5-10-19-20(15-16)28-14-13-27-19)22-17-6-8-18(9-7-17)29(25,26)23-11-3-1-2-4-12-23/h5-10,15H,1-4,11-14H2,(H,22,24)