N,N-diethyl-4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(3-imidazo[1,5-a]pyridinylthio)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(imidazo[1,5-a]pyridin-3-ylthio)-3-nitro-benzenesulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c1-3-19(4-2)27(24,25)14-8-9-16(15(11-14)21(22)23)26-17-18-12-13-7-5-6-10-20(13)17/h5-12H,3-4H2,1-2H3