[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-thienyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-thiophen-2-ylmethanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-thienyl)methanone Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CS2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CS2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O3S2/c1-12-15(24(21,22)18-9-5-3-4-6-10-18)13(2)19(17-12)16(20)14-8-7-11-23-14/h7-8,11H,3-6,9-10H2,1-2H3