N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide; ethanoic acid

Systemtic Name: N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: acetic acid; N-[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: acetic acid; N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: acetic acid; N-[1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C29H35N5O6S MolecularWeight: 581.6831

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)O.C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S.C2H4O2/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23;1-2(3)4/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33);1H3,(H,3,4)