ethyl N-[1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]carbamic acid ethyl ester Formula: C18H25ClFN3O5S MolecularWeight: 449.924603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClFN3O5S/c1-4-28-18(25)21-16(12(2)3)17(24)22-7-9-23(10-8-22)29(26,27)13-5-6-15(20)14(19)11-13/h5-6,11-12,16H,4,7-10H2,1-3H3,(H,21,25)