(phenylmethyl) 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetate Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)acetic acid benzyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-18-8-10-20(11-9-18)28(25,26)23-13-5-12-22(14-15-23)16-21(24)27-17-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3