N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-yl(mesyl)amino]acetamide Formula: C22H27N3O7S2 MolecularWeight: 509.59568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O7S2/c1-33(27,28)25(18-8-11-20-21(14-18)32-16-31-20)15-22(26)23-17-6-9-19(10-7-17)34(29,30)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,23,26)