3-[[(4-methylpiperidin-1-yl)carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[[(4-methylpiperidin-1-yl)carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: N'-hydroxy-3-[[(4-methylpiperidine-1-carbonyl)-(2-naphthylsulfonylamino)amino]methyl]benzamidine CAS Name: N'-hydroxy-3-[[[(4-methyl-1-piperidinyl)-oxomethyl]-(2-naphthalenylsulfonylamino)amino]methyl]benzenecarboximidamide IUPAC Name: N'-hydroxy-3-[[(4-methylpiperidine-1-carbonyl)-(naphthalen-2-ylsulfonylamino)amino]methyl]benzenecarboximidamide Traditional Name: N'-hydroxy-3-[[(4-methylpiperidine-1-carbonyl)-(2-naphthylsulfonylamino)amino]methyl]benzamidine Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)N(CC2=CC=CC(=C2)C(=NO)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)N(CC2=CC=CC(=C2)/C(=N/O)/N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N5O4S/c1-18-11-13-29(14-12-18)25(31)30(17-19-5-4-8-22(15-19)24(26)27-32)28-35(33,34)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18,28,32H,11-14,17H2,1H3,(H2,26,27)