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

Systemtic Name: (phenylmethyl) 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(1-methyl-4-imidazolyl)sulfonyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O4S/c1-20-12-17(19-15-20)27(24,25)22-9-5-8-21(10-11-22)13-18(23)26-14-16-6-3-2-4-7-16/h2-4,6-7,12,15H,5,8-11,13-14H2,1H3