N-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-methyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-1-methyl-ethyl]-2-furamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O5S/c1-14-6-7-15(2)18(13-14)29(26,27)23-10-8-22(9-11-23)20(25)16(3)21-19(24)17-5-4-12-28-17/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/t16-/m0/s1