2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinoline

Systemtic Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinoline Openeye Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinoline CAS Name: 2-[4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-4-methylquinoline IUPAC Name: 2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methylquinoline Traditional Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonylpiperazino]-4-methyl-quinoline Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C)C

InChI

InChI=1S/C21H27N5O2S/c1-5-26-17(4)21(16(3)23-26)29(27,28)25-12-10-24(11-13-25)20-14-15(2)18-8-6-7-9-19(18)22-20/h6-9,14H,5,10-13H2,1-4H3