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

Systemtic Name: methyl 4-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O6S/c1-17-7-10-19(15-21(17)32(28,29)25-13-5-3-4-6-14-25)24-22(26)16-31-20-11-8-18(9-12-20)23(27)30-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,26)