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

Systemtic Name: 2-[5-(azepan-1-yl)-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[5-(azepan-1-yl)-4-(1-naphthylsulfonylamino)-5-oxo-pentyl]guanidine CAS Name: 2-[5-(1-azepanyl)-4-(1-naphthalenylsulfonylamino)-5-oxopentyl]guanidine IUPAC Name: 2-[5-(azepan-1-yl)-4-(naphthalen-1-ylsulfonylamino)-5-oxopentyl]guanidine Traditional Name: 2-[5-(azepan-1-yl)-5-keto-4-(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

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