N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide Openeye Name: 2-[5-(benzylsulfonylamino)-2-methyl-6-oxo-pyrimidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[2-methyl-6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: 2-[5-(benzylsulfonylamino)-2-methyl-6-oxopyrimidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[5-(benzylsulfonylamino)-6-keto-2-methyl-pyrimidin-1-yl]acetamide Formula: C20H27N7O5S MolecularWeight: 477.53728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=O)N1CC(=O)NC2CCCN(C2O)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C(=O)N1CC(=O)N[C@H]2CCCN(C2O)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N7O5S/c1-13-23-10-16(25-33(31,32)12-14-6-3-2-4-7-14)19(30)27(13)11-17(28)24-15-8-5-9-26(18(15)29)20(21)22/h2-4,6-7,10,15,18,25,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,24,28)/t15-,18?/m0/s1