N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-(2-nitrophenyl)propionamide; sulfurous acid Formula: C26H32N6O8S2 MolecularWeight: 620.69768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C26H30N6O5S.H2O3S/c27-26(28)31-13-5-6-18(17-31)16-29-25(33)23(15-21-9-3-4-10-24(21)32(34)35)30-38(36,37)22-12-11-19-7-1-2-8-20(19)14-22;1-4(2)3/h1-4,7-12,14,18,23,30H,5-6,13,15-17H2,(H3,27,28)(H,29,33);(H2,1,2,3)