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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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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=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O5S/c25-22(23-18-8-11-20-21(15-18)29-16-28-20)12-7-17-5-9-19(10-6-17)30(26,27)24-13-3-1-2-4-14-24/h5-6,8-11,15H,1-4,7,12-14,16H2,(H,23,25)