[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: (3-mesylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O3S/c1-20-12-7-11-17(20)18-10-4-3-5-13-21(18)19(22)15-8-6-9-16(14-15)25(2,23)24/h6-9,11-12,14,18H,3-5,10,13H2,1-2H3