[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-quinolyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-quinolinyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(2-quinolyl)methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S/c1-16-7-8-17(2)21(15-16)29(27,28)25-13-11-24(12-14-25)22(26)20-10-9-18-5-3-4-6-19(18)23-20/h3-10,15H,11-14H2,1-2H3