2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzonitrile CAS Name: 2-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonylmethyl]benzonitrile IUPAC Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylmethyl]benzonitrile Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2S(=O)(=O)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2S(=O)(=O)CC3=CC=CC=C3C#N

InChI

InChI=1S/C19H23N3O2S/c1-21-12-7-11-18(21)19-10-3-2-6-13-22(19)25(23,24)15-17-9-5-4-8-16(17)14-20/h4-5,7-9,11-12,19H,2-3,6,10,13,15H2,1H3/t19-/m1/s1