N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide

Systemtic Name: N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide Openeye Name: N-[(1S)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(p-tolylsulfonylamino)acetamide CAS Name: N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[(1S)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(tosylamino)acetamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3

InChI

InChI=1S/C24H31N5O4S/c1-17-5-11-20(12-6-17)34(32,33)27-16-22(30)28-21(24(31)29-13-3-2-4-14-29)15-18-7-9-19(10-8-18)23(25)26/h5-12,21,27H,2-4,13-16H2,1H3,(H3,25,26)(H,28,30)/t21-/m0/s1