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

Systemtic Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-(2-naphthylsulfonylamino)-3-oxo-3-piperazin-4-ium-1-yl-propyl]benzamidine CAS Name: 3-[(2S)-2-(2-naphthalenylsulfonylamino)-3-oxo-3-(1-piperazin-4-iumyl)propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-piperazin-4-ium-1-ylpropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-2-(2-naphthylsulfonylamino)-3-piperazin-4-ium-1-yl-propyl]benzamidine Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)/p+1/t22-/m0/s1