N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-naphthalen-2-ylsulfonyl-amino]ethanamide ethanoate

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-naphthalen-2-ylsulfonyl-amino]ethanamide ethanoate Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-[[5-(dimethylamino)-1-naphthyl]sulfonyl-(2-naphthylsulfonyl)amino]acetamide acetate CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-(2-naphthalenylsulfonyl)amino]acetamide acetate IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-naphthalen-2-ylsulfonylamino]acetamide acetate Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[naphthionyl(2-naphthylsulfonyl)amino]acetamide acetate Formula: C33H39N6O7S2- MolecularWeight: 695.82876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC(=O)NCC3CCCN(C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)[O-].CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC(=O)NCC3CCCN(C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H36N6O5S2.C2H4O2/c1-35(2)28-13-5-12-27-26(28)11-6-14-29(27)44(41,42)37(21-30(38)34-19-22-8-7-17-36(20-22)31(32)33)43(39,40)25-16-15-23-9-3-4-10-24(23)18-25;1-2(3)4/h3-6,9-16,18,22H,7-8,17,19-21H2,1-2H3,(H3,32,33)(H,34,38);1H3,(H,3,4)/p-1