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

Systemtic Name: 3-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzenecarboximidamide Openeye Name: 3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-besylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C30H31N5O5S2 MolecularWeight: 605.72764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O5S2/c31-29(32)25-10-6-7-22(19-25)20-28(33-41(37,38)27-14-13-23-8-4-5-9-24(23)21-27)30(36)34-15-17-35(18-16-34)42(39,40)26-11-2-1-3-12-26/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)