(4-azanylquinazolin-2-yl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OC

InChI

InChI=1S/C23H26N4O5S/c1-15-7-5-6-12-27(15)33(29,30)20-13-16(10-11-19(20)31-2)23(28)32-14-21-25-18-9-4-3-8-17(18)22(24)26-21/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3,(H2,24,25,26)