5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23ClN2O5S/c22-18-7-6-16(30(26,27)24-9-3-1-2-4-10-24)14-17(18)21(25)23-15-5-8-19-20(13-15)29-12-11-28-19/h5-8,13-14H,1-4,9-12H2,(H,23,25)