ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]carbamic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

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