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

Systemtic Name: 3-[(2S)-3-[4-(2-azanylethyl)piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-[4-(2-aminoethyl)-1-piperidyl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-[4-(2-aminoethyl)-1-piperidinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-[4-(2-aminoethyl)piperidino]-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1CCN)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H33N5O3S/c28-13-10-19-11-14-32(15-12-19)27(33)25(17-20-4-3-7-23(16-20)26(29)30)31-36(34,35)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,31H,10-15,17,28H2,(H3,29,30)/t25-/m0/s1