N-[(1S)-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-2-methyl-benzamide

Systemtic Name: N-[(1S)-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-2-methyl-benzamide Openeye Name: N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(benzenesulfonyl)-2-oxo-ethyl]-2-methyl-benzamide CAS Name: N-[(1S)-2-(4-acetyl-1-piperazinyl)-1-(benzenesulfonyl)-2-oxoethyl]-2-methylbenzamide IUPAC Name: N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(benzenesulfonyl)-2-oxoethyl]-2-methylbenzamide Traditional Name: N-[(1S)-2-(4-acetylpiperazino)-1-besyl-2-keto-ethyl]-2-methyl-benzamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(=O)N2CCN(CC2)C(=O)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@H](C(=O)N2CCN(CC2)C(=O)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-16-8-6-7-11-19(16)20(27)23-21(31(29,30)18-9-4-3-5-10-18)22(28)25-14-12-24(13-15-25)17(2)26/h3-11,21H,12-15H2,1-2H3,(H,23,27)/t21-/m0/s1