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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyanophenyl)methylsulfonyl-methylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyanophenyl)methylsulfonyl-methylamino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-cyanobenzyl)sulfonyl-methyl-amino]acetamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

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