2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1H-benzimidazole Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H30N4O4S2/c29-33(30,27-15-5-1-2-6-16-27)20-9-11-21(12-10-20)34(31,32)28-17-13-19(14-18-28)24-25-22-7-3-4-8-23(22)26-24/h3-4,7-12,19H,1-2,5-6,13-18H2,(H,25,26)