(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c24-20(22-18-8-4-3-5-9-18)16-28-21(25)17-10-12-19(13-11-17)29(26,27)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-16H2,(H,22,24)