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

Systemtic Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]-N'-methyl-benzenecarboximidamide Openeye Name: 4-[(2S)-3-(azepan-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]-N'-methyl-benzamidine CAS Name: 4-[(2S)-3-(1-azepanyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]-N'-methylbenzenecarboximidamide IUPAC Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]-N'-methylbenzenecarboximidamide Traditional Name: 4-[(2S)-3-(azepan-1-yl)-3-keto-2-(2-naphthylsulfonylamino)propyl]-N'-methyl-benzamidine Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN=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/C27H32N4O3S/c1-29-26(28)22-12-10-20(11-13-22)18-25(27(32)31-16-6-2-3-7-17-31)30-35(33,34)24-15-14-21-8-4-5-9-23(21)19-24/h4-5,8-15,19,25,30H,2-3,6-7,16-18H2,1H3,(H2,28,29)/t25-/m0/s1