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

Systemtic Name: 3-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-benzoylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-benzoyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-benzoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-benzoylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C31H31N5O4S MolecularWeight: 569.67394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H31N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)