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

Systemtic Name: phenyl 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]ethanesulfonate CAS Name: 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]ethanesulfonic acid phenyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S/c1-19-8-5-6-9-20(19)18-23-13-7-12-22(14-15-23)16-17-27(24,25)26-21-10-3-2-4-11-21/h2-6,8-11H,7,12-18H2,1H3