4-[2-azanyl-4-(naphthalen-1-ylsulfonylamino)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-butyl]benzenecarboximidamide

Systemtic Name: 4-[2-azanyl-4-(naphthalen-1-ylsulfonylamino)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-butyl]benzenecarboximidamide Openeye Name: 4-[2-amino-4-(1-naphthylsulfonylamino)-3-oxo-2-(piperidine-1-carbonyl)butyl]benzamidine CAS Name: 4-[2-amino-4-(1-naphthalenylsulfonylamino)-3-oxo-2-[oxo(1-piperidinyl)methyl]butyl]benzenecarboximidamide IUPAC Name: 4-[2-amino-4-(naphthalen-1-ylsulfonylamino)-3-oxo-2-(piperidine-1-carbonyl)butyl]benzenecarboximidamide Traditional Name: 4-[2-amino-3-keto-4-(1-naphthylsulfonylamino)-2-(piperidine-1-carbonyl)butyl]benzamidine Formula: C27H31N5O4S MolecularWeight: 521.63114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)(C(=O)CNS(=O)(=O)C3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)(C(=O)CNS(=O)(=O)C3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C27H31N5O4S/c28-25(29)21-13-11-19(12-14-21)17-27(30,26(34)32-15-4-1-5-16-32)24(33)18-31-37(35,36)23-10-6-8-20-7-2-3-9-22(20)23/h2-3,6-14,31H,1,4-5,15-18,30H2,(H3,28,29)