3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylimidazo[1,5-a]pyridine

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylimidazo[1,5-a]pyridine Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylimidazo[1,5-a]pyridine CAS Name: 3-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]imidazo[1,5-a]pyridine IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanylimidazo[1,5-a]pyridine Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]imidazo[1,5-a]pyridine Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C4N3C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C4N3C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S2/c24-23(25)17-13-16(29(26,27)21-10-4-1-2-5-11-21)8-9-18(17)28-19-20-14-15-7-3-6-12-22(15)19/h3,6-9,12-14H,1-2,4-5,10-11H2