[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylcyclopropane-1-carboxylate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 2-methylcyclopropanecarboxylate CAS Name: 2-methyl-1-cyclopropanecarboxylic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate Traditional Name: 2-methylcyclopropanecarboxylic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N2O5S/c1-14-11-17(14)19(23)26-13-18(22)20-15-7-6-8-16(12-15)27(24,25)21-9-4-2-3-5-10-21/h6-8,12,14,17H,2-5,9-11,13H2,1H3,(H,20,22)