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

Systemtic Name: 4-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 4-[(2S)-3-(4-methylsulfonyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[(2S)-3-(4-methylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[(2S)-3-keto-3-(4-mesylpiperazino)-2-(2-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=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N5O5S2/c1-36(32,33)30-14-12-29(13-15-30)25(31)23(16-18-6-8-20(9-7-18)24(26)27)28-37(34,35)22-11-10-19-4-2-3-5-21(19)17-22/h2-11,17,23,28H,12-16H2,1H3,(H3,26,27)/t23-/m0/s1