(phenylmethyl) 2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-acetamido-3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(4-acetamido-3-chloro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-17(27)24-21-9-8-19(14-20(21)23)32(29,30)26-11-5-10-25(12-13-26)15-22(28)31-16-18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,24,27)