3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperonyl-propionamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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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)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O5S/c26-23(24-16-19-7-11-21-22(15-19)30-17-29-21)12-8-18-5-9-20(10-6-18)31(27,28)25-13-3-1-2-4-14-25/h5-7,9-11,15H,1-4,8,12-14,16-17H2,(H,24,26)