N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2,4-dimethoxybenzyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N4O5S/c1-16-21-10-9-20(35(4,31)32)13-22(21)28-25(27-16)29-11-5-6-18(15-29)24(30)26-14-17-7-8-19(33-2)12-23(17)34-3/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3,(H,26,30)