3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-2-(phenylsulfonylamino)propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-2-(phenylsulfonylamino)propyl]benzenecarboximidamide Openeye Name: 3-[2-(benzenesulfonamido)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]benzamidine CAS Name: 3-[2-(benzenesulfonamido)-3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[2-(benzenesulfonamido)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[2-(benzenesulfonamido)-3-keto-3-(4-mesylpiperazino)propyl]benzamidine Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O5S2/c1-32(28,29)26-12-10-25(11-13-26)21(27)19(15-16-6-5-7-17(14-16)20(22)23)24-33(30,31)18-8-3-2-4-9-18/h2-9,14,19,24H,10-13,15H2,1H3,(H3,22,23)