[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(1,3-benzodioxol-5-yl)methanone Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C19H23N3O5S/c1-13-18(28(24,25)21-9-5-3-4-6-10-21)14(2)22(20-13)19(23)15-7-8-16-17(11-15)27-12-26-16/h7-8,11H,3-6,9-10,12H2,1-2H3