[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-phenoxyethanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-phenoxyethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-18-11-12-19(15-21(18)32(28,29)25-13-7-2-3-8-14-25)24-22(26)16-31-23(27)17-30-20-9-5-4-6-10-20/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3,(H,24,26)