(1-carbamimidoylpiperidin-3-yl)methyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate; sulfurous acid

Systemtic Name: (1-carbamimidoylpiperidin-3-yl)methyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate; sulfurous acid Openeye Name: (1-carbamimidoyl-3-piperidyl)methyl 3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanoate; sulfurous acid CAS Name: 3-(1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)propanoic acid (1-carbamimidoyl-3-piperidinyl)methyl ester; sulfurous acid IUPAC Name: (1-carbamimidoylpiperidin-3-yl)methyl 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanoate; sulfurous acid Traditional Name: 3-(1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionic acid (1-amidino-3-piperidyl)methyl ester; sulfurous acid Formula: C28H33N5O7S2 MolecularWeight: 615.72092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

InChI

InChI=1S/C28H31N5O4S.H2O3S/c29-28(30)33-13-5-6-19(17-33)18-37-27(34)26(15-22-16-31-25-10-4-3-9-24(22)25)32-38(35,36)23-12-11-20-7-1-2-8-21(20)14-23;1-4(2)3/h1-4,7-12,14,16,19,26,31-32H,5-6,13,15,17-18H2,(H3,29,30);(H2,1,2,3)