2-[5-(azepan-1-yl)-4-(naphthalen-2-ylsulfonylamino)-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[5-(azepan-1-yl)-4-(naphthalen-2-ylsulfonylamino)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[5-(azepan-1-yl)-4-(2-naphthylsulfonylamino)-5-oxo-pentyl]guanidine CAS Name: 2-[5-(1-azepanyl)-4-(2-naphthalenylsulfonylamino)-5-oxopentyl]guanidine IUPAC Name: 2-[5-(azepan-1-yl)-4-(naphthalen-2-ylsulfonylamino)-5-oxopentyl]guanidine Traditional Name: 2-[5-(azepan-1-yl)-5-keto-4-(2-naphthylsulfonylamino)pentyl]guanidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H31N5O3S/c23-22(24)25-13-7-10-20(21(28)27-14-5-1-2-6-15-27)26-31(29,30)19-12-11-17-8-3-4-9-18(17)16-19/h3-4,8-9,11-12,16,20,26H,1-2,5-7,10,13-15H2,(H4,23,24,25)