methyl 4-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O6S/c1-29-22(26)17-9-11-19(12-10-17)30-16-21(25)23-18-7-6-8-20(15-18)31(27,28)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16H2,1H3,(H,23,25)