[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H30N2O6S/c1-25(17-19-10-6-5-7-11-19)33(29,30)22-16-20(12-13-21(22)31-2)24(28)32-18-23(27)26-14-8-3-4-9-15-26/h5-7,10-13,16H,3-4,8-9,14-15,17-18H2,1-2H3