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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O5S2/c25-22(16-30-18-7-10-20-21(15-18)29-14-13-28-20)23-17-5-8-19(9-6-17)31(26,27)24-11-3-1-2-4-12-24/h5-10,15H,1-4,11-14,16H2,(H,23,25)