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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] butanoate Traditional Name: butyric 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:

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

Isomeric SMILES

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

InChI

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