(2-oxidanylideneazepan-3-yl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Openeye Name: (2-oxoazepan-3-yl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-(mesitylsulfonylamino)benzoic acid (2-ketoazepan-3-yl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OC3CCCCNC3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OC3CCCCNC3=O)C

InChI

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