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

Systemtic Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-1-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(1-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-(4-methylsulfonyl-1-piperazinyl)-2-(1-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-1-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-3-(4-mesylpiperazino)-2-(1-naphthylsulfonylamino)propyl]benzamidine Formula: C25H29N5O5S2 MolecularWeight: 543.65826

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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=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N5O5S2/c1-36(32,33)30-14-12-29(13-15-30)25(31)22(17-18-6-4-9-20(16-18)24(26)27)28-37(34,35)23-11-5-8-19-7-2-3-10-21(19)23/h2-11,16,22,28H,12-15,17H2,1H3,(H3,26,27)/t22-/m0/s1