[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC(C)C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H28N2O6S/c1-14(2)19(23)27-13-18(22)20-16-12-15(8-9-17(16)26-3)28(24,25)21-10-6-4-5-7-11-21/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,22)