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

Systemtic Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(octylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(octylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-(4-methylsulfonyl-1-piperazinyl)-2-(octylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(octylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-3-(4-mesylpiperazino)-2-(octylsulfonylamino)propyl]benzamidine Formula: C23H39N5O5S2 MolecularWeight: 529.71626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N[C@@H](CC1=CC=CC(=C1)C(=N)N)C(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C23H39N5O5S2/c1-3-4-5-6-7-8-16-35(32,33)26-21(18-19-10-9-11-20(17-19)22(24)25)23(29)27-12-14-28(15-13-27)34(2,30)31/h9-11,17,21,26H,3-8,12-16,18H2,1-2H3,(H3,24,25)/t21-/m0/s1