methyl 2-methyl-3-[(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 2-methyl-3-[[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 2-methyl-3-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NS(=O)(=O)C2=CNC(=C2)C(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NS(=O)(=O)C2=CNC(=C2)C(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O5S/c1-12-14(18(23)26-2)6-5-7-15(12)20-27(24,25)13-10-16(19-11-13)17(22)21-8-3-4-9-21/h5-7,10-11,19-20H,3-4,8-9H2,1-2H3