(3S)-N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(cyclohexylmethyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4CCCCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)NCC4CCCCC4

InChI

InChI=1S/C23H32N4O3S/c1-16-20-11-10-19(31(2,29)30)13-21(20)26-23(25-16)27-12-6-9-18(15-27)22(28)24-14-17-7-4-3-5-8-17/h10-11,13,17-18H,3-9,12,14-15H2,1-2H3,(H,24,28)/t18-/m0/s1