1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylazepane

Systemtic Name: 1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylazepane Openeye Name: 1-[1-(benzenesulfonyl)-2,5-dimethyl-pyrrol-3-yl]sulfonylazepane CAS Name: 1-[[1-(benzenesulfonyl)-2,5-dimethyl-3-pyrrolyl]sulfonyl]azepane IUPAC Name: 1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonylazepane Traditional Name: 1-(1-besyl-2,5-dimethyl-pyrrol-3-yl)sulfonylazepane Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N2O4S2/c1-15-14-18(26(23,24)19-12-8-3-4-9-13-19)16(2)20(15)25(21,22)17-10-6-5-7-11-17/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3