ethyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: ethyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: ethyl N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]carbamate CAS Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]carbamic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)NCCC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3O5S/c1-3-26-18(23)19-10-9-17(22)20-11-4-12-21(14-13-20)27(24,25)16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,19,23)