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

Systemtic Name: ethyl N-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]carbamic acid ethyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-6-28-20(25)21-18(14(2)3)19(24)22-9-11-23(12-10-22)29(26,27)17-13-15(4)7-8-16(17)5/h7-8,13-14,18H,6,9-12H2,1-5H3,(H,21,25)