[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H25ClN2O5S/c1-3-10-21-18(23)14(2)27-19(24)15-8-9-16(20)17(13-15)28(25,26)22-11-6-4-5-7-12-22/h3,8-9,13-14H,1,4-7,10-12H2,2H3,(H,21,23)