4-[4-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(1S)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]piperazino]sulfonylbenzamide Formula: C25H25FN4O4S MolecularWeight: 496.553803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H25FN4O4S/c26-20-8-10-21(11-9-20)28-25(32)23(18-4-2-1-3-5-18)29-14-16-30(17-15-29)35(33,34)22-12-6-19(7-13-22)24(27)31/h1-13,23H,14-17H2,(H2,27,31)(H,28,32)/t23-/m0/s1