(3-methylquinoxalin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O4S/c1-15-20(23-19-10-3-2-9-18(19)22-15)14-28-21(25)16-7-6-8-17(13-16)29(26,27)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3