N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-(methylsulfonylamino)-2-oxidanylidene-4-phenethyl-pyridin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-(methylsulfonylamino)-2-oxidanylidene-4-phenethyl-pyridin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[3-(methanesulfonamido)-2-oxo-4-phenethyl-1-pyridyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[3-(methanesulfonamido)-2-oxo-4-phenethyl-1-pyridinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[3-(methanesulfonamido)-2-oxo-4-phenethylpyridin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[2-keto-3-(methanesulfonamido)-4-phenethyl-1-pyridyl]acetamide Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CN(C1=O)CC(=O)NC2CCCN(C2O)C(=N)N)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CN(C1=O)CC(=O)N[C@H]2CCCN(C2O)C(=N)N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1