2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]methyl]-1,3-benzoxazole Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H22N4O3S/c1-16-13-17-5-4-8-20(22(17)23-14-16)30(27,28)26-11-9-25(10-12-26)15-21-24-18-6-2-3-7-19(18)29-21/h2-8,13-14H,9-12,15H2,1H3