N-[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfamoylamino)azepan-1-yl]ethanamide

Systemtic Name: N-[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfamoylamino)azepan-1-yl]ethanamide Openeye Name: N-[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]-3-piperidyl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetamide CAS Name: N-[(3S)-1-[(E)-amino(nitroimino)methyl]-2-ethoxy-3-piperidinyl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)-1-azepanyl]acetamide IUPAC Name: N-[(3S)-2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]-2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetamide Traditional Name: N-[(3S)-2-ethoxy-1-[(E)-N'-nitroamidino]-3-piperidyl]-2-[(3S)-2-keto-3-(phenylsulfamoylamino)azepan-1-yl]acetamide Formula: C22H34N8O7S MolecularWeight: 554.61976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N[N+](=O)[O-])N)NC(=O)CN2CCCCC(C2=O)NS(=O)(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1/C(=N/[N+](=O)[O-])/N)NC(=O)CN2CCCC[C@@H](C2=O)NS(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H34N8O7S/c1-2-37-21-18(12-8-14-29(21)22(23)25-30(33)34)24-19(31)15-28-13-7-6-11-17(20(28)32)27-38(35,36)26-16-9-4-3-5-10-16/h3-5,9-10,17-18,21,26-27H,2,6-8,11-15H2,1H3,(H2,23,25)(H,24,31)/t17-,18-,21?/m0/s1