N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonyl-isonipecotamide Formula: C18H25N6O4S- MolecularWeight: 421.4939

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=N[N-]3

Isomeric SMILES

CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=N[N-]3

InChI

InChI=1S/C18H26N6O4S/c1-2-28-13-3-10-19-18(25)15-8-11-24(12-9-15)29(26,27)16-6-4-14(5-7-16)17-20-22-23-21-17/h4-7,15H,2-3,8-13H2,1H3,(H2,19,20,21,22,23,25)/p-1