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

Systemtic Name: 3-[(2S)-2-azanyl-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-amino-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-2-amino-3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-amino-3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-2-amino-3-keto-3-(4-mesylpiperazino)propyl]benzamidine Formula: C15H23N5O3S MolecularWeight: 353.43982

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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)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)N

InChI

InChI=1S/C15H23N5O3S/c1-24(22,23)20-7-5-19(6-8-20)15(21)13(16)10-11-3-2-4-12(9-11)14(17)18/h2-4,9,13H,5-8,10,16H2,1H3,(H3,17,18)/t13-/m0/s1