phenyl 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanesulfonate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanesulfonate Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)ethanesulfonic acid phenyl ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S2/c1-18-8-10-20(11-9-18)29(25,26)22-13-5-12-21(14-15-22)16-17-28(23,24)27-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3