1-(2-chloroethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane

Systemtic Name: 1-(2-chloroethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane Openeye Name: 1-(2-chloroethyl)-4,7-bis(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: 1-(2-chloroethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane IUPAC Name: 1-(2-chloroethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane Traditional Name: 1-(2-chloroethyl)-4,7-ditosyl-1,4,7-triazonane Formula: C22H30ClN3O4S2 MolecularWeight: 500.0743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CCCl

InChI

InChI=1S/C22H30ClN3O4S2/c1-19-3-7-21(8-4-19)31(27,28)25-15-13-24(12-11-23)14-16-26(18-17-25)32(29,30)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3