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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propionamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H30N2O5S/c27-24(25-18-20-7-11-22-23(17-20)31-16-15-30-22)12-8-19-5-9-21(10-6-19)32(28,29)26-13-3-1-2-4-14-26/h5-7,9-11,17H,1-4,8,12-16,18H2,(H,25,27)