N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

InChI

InChI=1S/C21H24FN3O4S/c1-15-6-7-17(12-16(15)2)21(27)23-14-20(26)24-8-10-25(11-9-24)30(28,29)19-5-3-4-18(22)13-19/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27)