azocan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]methanone

Systemtic Name: azocan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]methanone Openeye Name: azocan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-3-piperidyl]methanone CAS Name: 1-azocanyl-[(3S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinyl]methanone IUPAC Name: azocan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-3-yl]methanone Traditional Name: azocan-1-yl-[(3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-3-piperidyl]methanone 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)N4CCCCCCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)N4CCCCCCC4

InChI

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