N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-(3-fluoroanilino)-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C16H21FN4O5S MolecularWeight: 400.425143

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C16H21FN4O5S/c1-16(10-21(27(3,25)26)9-14(23)20(16)2)15(24)18-8-13(22)19-12-6-4-5-11(17)7-12/h4-7H,8-10H2,1-3H3,(H,18,24)(H,19,22)