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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-14(2)18(22)25-13-17(21)19-15-8-7-9-16(12-15)26(23,24)20-10-5-3-4-6-11-20/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,19,21)