N-[(4-carbamimidoylmorpholin-2-yl)methyl]-N-naphthalen-2-ylsulfonyl-3-(4-nitrophenyl)propanamide; sulfurous acid

Systemtic Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-N-naphthalen-2-ylsulfonyl-3-(4-nitrophenyl)propanamide; sulfurous acid Openeye Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-N-(2-naphthylsulfonyl)-3-(4-nitrophenyl)propanamide; sulfurous acid CAS Name: N-[(4-carbamimidoyl-2-morpholinyl)methyl]-N-(2-naphthalenylsulfonyl)-3-(4-nitrophenyl)propanamide; sulfurous acid IUPAC Name: N-[(4-carbamimidoylmorpholin-2-yl)methyl]-N-naphthalen-2-ylsulfonyl-3-(4-nitrophenyl)propanamide; sulfurous acid Traditional Name: N-[(4-amidinomorpholin-2-yl)methyl]-N-(2-naphthylsulfonyl)-3-(4-nitrophenyl)propionamide; sulfurous acid Formula: C25H29N5O9S2 MolecularWeight: 607.65586

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=N)N)CN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

C1COC(CN1C(=N)N)CN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C25H27N5O6S.H2O3S/c26-25(27)28-13-14-36-22(16-28)17-29(24(31)12-7-18-5-9-21(10-6-18)30(32)33)37(34,35)23-11-8-19-3-1-2-4-20(19)15-23;1-4(2)3/h1-6,8-11,15,22H,7,12-14,16-17H2,(H3,26,27);(H2,1,2,3)