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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17N3O5S/c1-27(23,24)21(15-6-7-16-17(10-15)26-12-25-16)11-18(22)20-14-4-2-13(3-5-14)8-9-19/h2-7,10H,8,11-12H2,1H3,(H,20,22)