3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propionamide Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

InChI

InChI=1S/C23H27ClN2O5S/c24-19-15-21-22(31-14-13-30-21)16-20(19)25-23(27)10-7-17-5-8-18(9-6-17)32(28,29)26-11-3-1-2-4-12-26/h5-6,8-9,15-16H,1-4,7,10-14H2,(H,25,27)