(2-methylquinolin-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylquinolin-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methyl-4-quinolyl)methanone CAS Name: (2-methyl-4-quinolinyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(2-methyl-4-quinolyl)methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-17-15-20(19-9-5-6-10-21(19)23-17)22(26)24-11-13-25(14-12-24)29(27,28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3