N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxopyridin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[2-keto-3-[(3-methoxyphenyl)sulfonylamino]-1-pyridyl]acetamide Formula: C20H26N6O6S MolecularWeight: 478.52204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CN(C2=O)CC(=O)NC3CCCN(C3O)C(=N)N

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC=CN(C2=O)CC(=O)N[C@H]3CCCN(C3O)C(=N)N

InChI

InChI=1S/C20H26N6O6S/c1-32-13-5-2-6-14(11-13)33(30,31)24-16-8-3-9-25(18(16)28)12-17(27)23-15-7-4-10-26(19(15)29)20(21)22/h2-3,5-6,8-9,11,15,19,24,29H,4,7,10,12H2,1H3,(H3,21,22)(H,23,27)/t15-,19?/m0/s1