2-azanyl-N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: 2-azanyl-N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: 2-amino-N-(1-carbamimidoyl-3-piperidyl)-N-methyl-3-(2-naphthylsulfonylamino)propanamide CAS Name: 2-amino-N-(1-carbamimidoyl-3-piperidinyl)-N-methyl-3-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: 2-amino-N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-(1-amidino-3-piperidyl)-2-amino-N-methyl-3-(2-naphthylsulfonylamino)propionamide Formula: C20H28N6O3S MolecularWeight: 432.53972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C20H28N6O3S/c1-25(16-7-4-10-26(13-16)20(22)23)19(27)18(21)12-24-30(28,29)17-9-8-14-5-2-3-6-15(14)11-17/h2-3,5-6,8-9,11,16,18,24H,4,7,10,12-13,21H2,1H3,(H3,22,23)