(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3,5-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=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)NCC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H30N4O5S/c1-16-22-8-7-21(35(4,31)32)13-23(22)28-25(27-16)29-9-5-6-18(15-29)24(30)26-14-17-10-19(33-2)12-20(11-17)34-3/h7-8,10-13,18H,5-6,9,14-15H2,1-4H3,(H,26,30)/t18-/m0/s1