[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O6S/c1-18-15-23(19(2)27(18)13-8-14-32-3)24(28)17-33-25(29)20-9-7-10-21(16-20)26-34(30,31)22-11-5-4-6-12-22/h4-7,9-12,15-16,26H,8,13-14,17H2,1-3H3