[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O6S/c1-31-20-9-5-4-8-18(20)15-25-22(27)16-32-23(28)17-10-11-19(24)21(14-17)33(29,30)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,25,27)