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

Systemtic Name: 3-[3-(4-butylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-butylsulfonylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-butylsulfonyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-butylsulfonylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-butylsulfonylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C28H35N5O5S2 MolecularWeight: 585.738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=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

CCCCS(=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/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)