N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NCC4C5=CC=CC=C5CCO4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC[C@@H]4C5=CC=CC=C5CCO4

InChI

InChI=1S/C26H30N4O4S/c1-17-21-8-7-20(35(2,32)33)15-23(21)29-26(28-17)30-12-9-19(10-13-30)25(31)27-16-24-22-6-4-3-5-18(22)11-14-34-24/h3-8,15,19,24H,9-14,16H2,1-2H3,(H,27,31)/t24-/m1/s1