3-[[(3S)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-(2-naphthylsulfonylamino)-2-oxo-azepan-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-(2-naphthalenylsulfonylamino)-2-oxo-1-azepanyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-(naphthalen-2-ylsulfonylamino)-2-oxoazepan-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-(2-naphthylsulfonylamino)azepan-1-yl]methyl]benzamidine Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)16-28-13-4-3-10-22(24(28)29)27-32(30,31)21-12-11-18-7-1-2-8-19(18)15-21/h1-2,5-9,11-12,14-15,22,27H,3-4,10,13,16H2,(H3,25,26)/t22-/m0/s1