N-[(2R)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide

Systemtic Name: N-[(2R)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide Openeye Name: N-[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: N-[(2R)-3-(3-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: N-[(2R)-3-(3-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: N-[(1R)-1-(3-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](CC2=CC=CC(=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S/c28-26(29)22-10-6-7-19(15-22)16-24(27(34)32-13-4-1-5-14-32)31-25(33)18-30-37(35,36)23-12-11-20-8-2-3-9-21(20)17-23/h2-3,6-12,15,17,24,30H,1,4-5,13-14,16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1