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

Systemtic Name: 3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[2-(2-naphthylsulfonylamino)-3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]benzamidine CAS Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-keto-2-(2-naphthylsulfonylamino)-3-(4-tosylpiperazino)propyl]benzamidine Formula: C31H33N5O5S2 MolecularWeight: 619.75422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H33N5O5S2/c1-22-9-12-27(13-10-22)43(40,41)36-17-15-35(16-18-36)31(37)29(20-23-5-4-8-26(19-23)30(32)33)34-42(38,39)28-14-11-24-6-2-3-7-25(24)21-28/h2-14,19,21,29,34H,15-18,20H2,1H3,(H3,32,33)