5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-methyl-isoquinoline

Systemtic Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-methyl-isoquinoline Openeye Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-methyl-isoquinoline CAS Name: 5-[(2,5-dimethyl-1-piperazinyl)sulfonyl]-4-methylisoquinoline IUPAC Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-methylisoquinoline Traditional Name: 5-(2,5-dimethylpiperazino)sulfonyl-4-methyl-isoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C

Isomeric SMILES

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C

InChI

InChI=1S/C16H21N3O2S/c1-11-7-17-9-14-5-4-6-15(16(11)14)22(20,21)19-10-12(2)18-8-13(19)3/h4-7,9,12-13,18H,8,10H2,1-3H3