[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H26ClFN2O5S/c1-26(15-17-6-9-19(25)10-7-17)22(28)16-32-23(29)18-8-11-20(24)21(14-18)33(30,31)27-12-4-2-3-5-13-27/h6-11,14H,2-5,12-13,15-16H2,1H3