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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O3S2/c1-14-11-17(15(2)21-14)18(23)13-26-19-8-7-16(12-20-19)27(24,25)22-9-5-3-4-6-10-22/h7-8,11-12,21H,3-6,9-10,13H2,1-2H3