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

Systemtic Name: 3-[3-(4-butanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-butanoylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[2-(2-naphthalenylsulfonylamino)-3-oxo-3-[4-(1-oxobutyl)-1-piperazinyl]propyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-butanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-butyrylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C28H33N5O4S/c1-2-6-26(34)32-13-15-33(16-14-32)28(35)25(18-20-7-5-10-23(17-20)27(29)30)31-38(36,37)24-12-11-21-8-3-4-9-22(21)19-24/h3-5,7-12,17,19,25,31H,2,6,13-16,18H2,1H3,(H3,29,30)