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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-16-21(24-20-11-4-3-10-19(20)23-16)15-29-22(26)17-8-7-9-18(14-17)30(27,28)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3