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

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-17(21(25)23-19-11-5-4-6-12-19)29-22(26)18-10-9-13-20(16-18)30(27,28)24-14-7-2-3-8-15-24/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3,(H,23,25)