N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[(1S)-2-methyl-1-(4-p-phenetylsulfonylpiperazine-1-carbonyl)propyl]benzamide Formula: C24H30FN3O5S MolecularWeight: 491.575503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H30FN3O5S/c1-4-33-18-9-11-19(12-10-18)34(31,32)28-15-13-27(14-16-28)24(30)22(17(2)3)26-23(29)20-7-5-6-8-21(20)25/h5-12,17,22H,4,13-16H2,1-3H3,(H,26,29)/t22-/m0/s1