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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-(methylsulfonylamino)-2-oxidanylidene-4-(3-phenylpropyl)pyridin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[3-(methanesulfonamido)-2-oxo-4-(3-phenylpropyl)-1-pyridyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[3-(methanesulfonamido)-2-oxo-4-(3-phenylpropyl)-1-pyridinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[3-(methanesulfonamido)-2-oxo-4-(3-phenylpropyl)pyridin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[2-keto-3-(methanesulfonamido)-4-(3-phenylpropyl)-1-pyridyl]acetamide Formula: C23H32N6O5S MolecularWeight: 504.60238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CN(C1=O)CC(=O)NC2CCCN(C2O)C(=N)N)CCCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CN(C1=O)CC(=O)N[C@H]2CCCN(C2O)C(=N)N)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1