4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]-N'-ethyl-benzenecarboximidamide

Systemtic Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]-N'-ethyl-benzenecarboximidamide Openeye Name: 4-[(2S)-3-(azepan-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]-N'-ethyl-benzamidine CAS Name: 4-[(2S)-3-(1-azepanyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]-N'-ethylbenzenecarboximidamide IUPAC Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]-N'-ethylbenzenecarboximidamide Traditional Name: 4-[(2S)-3-(azepan-1-yl)-3-keto-2-(2-naphthylsulfonylamino)propyl]-N'-ethyl-benzamidine Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C1=CC=C(C=C1)CC(C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CCN=C(C1=CC=C(C=C1)C[C@@H](C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C28H34N4O3S/c1-2-30-27(29)23-13-11-21(12-14-23)19-26(28(33)32-17-7-3-4-8-18-32)31-36(34,35)25-16-15-22-9-5-6-10-24(22)20-25/h5-6,9-16,20,26,31H,2-4,7-8,17-19H2,1H3,(H2,29,30)/t26-/m0/s1