3-(5-bromanyl-1H-indol-3-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid

Systemtic Name: 3-(5-bromanyl-1H-indol-3-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Openeye Name: 3-(5-bromo-1H-indol-3-yl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)propanamide; sulfurous acid CAS Name: 3-(5-bromo-1H-indol-3-yl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)propanamide; sulfurous acid IUPAC Name: 3-(5-bromo-1H-indol-3-yl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(5-bromo-1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionamide; sulfurous acid Formula: C28H33BrN6O6S2 MolecularWeight: 693.63222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=C2C=C(C=C3)Br)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CNC3=C2C=C(C=C3)Br)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

InChI

InChI=1S/C28H31BrN6O3S.H2O3S/c29-22-8-10-25-24(14-22)21(16-32-25)13-26(27(36)33-15-18-4-3-11-35(17-18)28(30)31)34-39(37,38)23-9-7-19-5-1-2-6-20(19)12-23;1-4(2)3/h1-2,5-10,12,14,16,18,26,32,34H,3-4,11,13,15,17H2,(H3,30,31)(H,33,36);(H2,1,2,3)