4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonyl]benzonitrile IUPAC Name: 4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylbenzonitrile Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N3O2S/c1-20-12-5-7-17(20)18-6-3-2-4-13-21(18)24(22,23)16-10-8-15(14-19)9-11-16/h5,7-12,18H,2-4,6,13H2,1H3/t18-/m1/s1