1,5-bis(azanyl)-7-(chloromethyl)-7-(4-methylphenyl)sulfonyl-docosane-6,8-dione

Systemtic Name: 1,5-bis(azanyl)-7-(chloromethyl)-7-(4-methylphenyl)sulfonyl-docosane-6,8-dione Openeye Name: 1,5-diamino-7-(chloromethyl)-7-(p-tolylsulfonyl)docosane-6,8-dione CAS Name: 1,5-diamino-7-(chloromethyl)-7-(4-methylphenyl)sulfonyldocosane-6,8-dione IUPAC Name: 1,5-diamino-7-(chloromethyl)-7-(4-methylphenyl)sulfonyldocosane-6,8-dione Traditional Name: 1,5-diamino-7-(chloromethyl)-7-tosyl-docosane-6,8-dione Formula: C30H51ClN2O4S MolecularWeight: 571.25494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C(CCl)(C(=O)C(CCCCN)N)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C(CCl)(C(=O)C(CCCCN)N)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C30H51ClN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-28(34)30(24-31,29(35)27(33)17-15-16-23-32)38(36,37)26-21-19-25(2)20-22-26/h19-22,27H,3-18,23-24,32-33H2,1-2H3