2-[azepan-1-ylsulfonyl(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[azepan-1-ylsulfonyl(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[azepan-1-ylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[1-azepanylsulfonyl(2-oxolanylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[azepan-1-ylsulfonyl(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[azepan-1-ylsulfonyl(tetrahydrofurfuryl)amino]-N-(2,3-dimethylphenyl)acetamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H33N3O4S/c1-17-9-7-11-20(18(17)2)22-21(25)16-24(15-19-10-8-14-28-19)29(26,27)23-12-5-3-4-6-13-23/h7,9,11,19H,3-6,8,10,12-16H2,1-2H3,(H,22,25)