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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-16-22(18-8-4-5-9-19(18)24-16)20(26)15-29-21-11-10-17(14-23-21)30(27,28)25-12-6-2-3-7-13-25/h4-5,8-11,14,24H,2-3,6-7,12-13,15H2,1H3