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

Systemtic Name: 3-[(2S)-3-[4-(3-azanylpropyl)piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-[4-(3-aminopropyl)-1-piperidyl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-[4-(3-aminopropyl)-1-piperidinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-[4-(3-aminopropyl)piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-[4-(3-aminopropyl)piperidino]-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCN)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1CCCN)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H35N5O3S/c29-14-4-6-20-12-15-33(16-13-20)28(34)26(18-21-5-3-9-24(17-21)27(30)31)32-37(35,36)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,32H,4,6,12-16,18,29H2,(H3,30,31)/t26-/m0/s1