2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(1H-indol-3-yl)ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S2/c25-20(18-14-22-19-8-4-3-7-17(18)19)15-28-21-10-9-16(13-23-21)29(26,27)24-11-5-1-2-6-12-24/h3-4,7-10,13-14,22H,1-2,5-6,11-12,15H2