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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(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=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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