3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonyl chloride

Systemtic Name: 3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonyl chloride Openeye Name: 3-[4-(p-tolylmethyl)piperazin-1-yl]sulfonylbenzenesulfonyl chloride CAS Name: 3-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]sulfonyl]benzenesulfonyl chloride IUPAC Name: 3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonyl chloride Traditional Name: 3-[4-(4-methylbenzyl)piperazino]sulfonylbenzenesulfonyl chloride Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)Cl

InChI

InChI=1S/C18H21ClN2O4S2/c1-15-5-7-16(8-6-15)14-20-9-11-21(12-10-20)27(24,25)18-4-2-3-17(13-18)26(19,22)23/h2-8,13H,9-12,14H2,1H3