(3-methylquinoxalin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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