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

Systemtic Name: azepan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-3-piperidyl]methanone CAS Name: 1-azepanyl-[(3S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-3-piperidyl]methanone Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O3S/c1-16-19-10-9-18(30(2,28)29)14-20(19)24-22(23-16)26-13-7-8-17(15-26)21(27)25-11-5-3-4-6-12-25/h9-10,14,17H,3-8,11-13,15H2,1-2H3/t17-/m0/s1