[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H29FN2O6S/c1-17(23(28)26-16-18-7-9-19(25)10-8-18)33-24(29)21-15-20(11-12-22(21)32-2)34(30,31)27-13-5-3-4-6-14-27/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H,26,28)