1-chloranyl-5-(2,5-dimethylpiperazin-1-yl)sulfonyl-isoquinoline

Systemtic Name: 1-chloranyl-5-(2,5-dimethylpiperazin-1-yl)sulfonyl-isoquinoline Openeye Name: 1-chloro-5-(2,5-dimethylpiperazin-1-yl)sulfonyl-isoquinoline CAS Name: 1-chloro-5-[(2,5-dimethyl-1-piperazinyl)sulfonyl]isoquinoline IUPAC Name: 1-chloro-5-(2,5-dimethylpiperazin-1-yl)sulfonylisoquinoline Traditional Name: 1-chloro-5-(2,5-dimethylpiperazino)sulfonyl-isoquinoline Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C

Isomeric SMILES

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C

InChI

InChI=1S/C15H18ClN3O2S/c1-10-9-19(11(2)8-18-10)22(20,21)14-5-3-4-13-12(14)6-7-17-15(13)16/h3-7,10-11,18H,8-9H2,1-2H3