(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-16(21(26)24-18-9-5-4-6-10-18)30-22(27)17-11-12-19(23)20(15-17)31(28,29)25-13-7-2-3-8-14-25/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,24,26)