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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O6S/c1-19(24(28)27-15-9-4-5-10-16-27)33-25(29)21-13-14-22(32-3)23(17-21)34(30,31)26(2)18-20-11-7-6-8-12-20/h6-8,11-14,17,19H,4-5,9-10,15-16,18H2,1-3H3/t19-/m1/s1