N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCC2=CN3C=CC=CC3=N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCCC2=CN3C=CC=CC3=N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5S/c27-20(21-8-7-16-15-24-9-2-1-6-19(24)22-16)23-10-12-25(13-11-23)32(30,31)18-5-3-4-17(14-18)26(28)29/h1-6,9,14-15H,7-8,10-13H2,(H,21,27)