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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H31N5O3S/c1-16-10-13-27(14-11-16)21(28)20(7-4-12-25-22(23)24)26-31(29,30)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-9,15-16,20,26H,4,7,10-14H2,1H3,(H4,23,24,25)