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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethylbutanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-3-16(4-2)20(24)27-15-19(23)21-17-10-9-11-18(14-17)28(25,26)22-12-7-5-6-8-13-22/h9-11,14,16H,3-8,12-13,15H2,1-2H3,(H,21,23)