N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[naphthalen-2-ylsulfonyl(phenyl)amino]ethanamide

Systemtic Name: N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[naphthalen-2-ylsulfonyl(phenyl)amino]ethanamide Openeye Name: N-[(1R)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-[N-(2-naphthylsulfonyl)anilino]acetamide CAS Name: N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[N-(2-naphthalenylsulfonyl)anilino]acetamide IUPAC Name: N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(N-naphthalen-2-ylsulfonylanilino)acetamide Traditional Name: N-[(1R)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-[N-(2-naphthylsulfonyl)anilino]acetamide Formula: C33H35N5O4S MolecularWeight: 597.7271

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H35N5O4S/c34-32(35)26-15-13-24(14-16-26)21-30(33(40)37-19-7-2-8-20-37)36-31(39)23-38(28-11-3-1-4-12-28)43(41,42)29-18-17-25-9-5-6-10-27(25)22-29/h1,3-6,9-18,22,30H,2,7-8,19-21,23H2,(H3,34,35)(H,36,39)/t30-/m1/s1