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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-ethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-ethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(2-ethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2-ethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-o-phenetyl-methanone Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O4S/c1-4-27-18-12-8-7-11-17(18)20(24)23-16(3)19(15(2)21-23)28(25,26)22-13-9-5-6-10-14-22/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3