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

Systemtic Name: 3-[3-(4-ethylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-ethylsulfonylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-ethylsulfonyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-ethylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-esylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C26H31N5O5S2 MolecularWeight: 557.68484

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)