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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-(methylsulfonylamino)-2-oxidanylidene-3-(phenylmethyl)piperidin-1-yl]ethanamide Openeye Name: 2-[3-benzyl-3-(methanesulfonamido)-2-oxo-1-piperidyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[3-(methanesulfonamido)-2-oxo-3-(phenylmethyl)-1-piperidinyl]acetamide IUPAC Name: 2-[3-benzyl-3-(methanesulfonamido)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[3-benzyl-2-keto-3-(methanesulfonamido)piperidino]acetamide Formula: C21H32N6O5S MolecularWeight: 480.58098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1(CCCN(C1=O)CC(=O)NC2CCCN(C2O)C(=N)N)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1(CCCN(C1=O)CC(=O)N[C@H]2CCCN(C2O)C(=N)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N6O5S/c1-33(31,32)25-21(13-15-7-3-2-4-8-15)10-6-11-26(19(21)30)14-17(28)24-16-9-5-12-27(18(16)29)20(22)23/h2-4,7-8,16,18,25,29H,5-6,9-14H2,1H3,(H3,22,23)(H,24,28)/t16-,18?,21?/m0/s1