2-[4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidinyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidino]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCN2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCN2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H27N5O3S/c1-24-10-4-7-19(24)20-8-5-11-26(20)17-22(28)25-12-14-27(15-13-25)31(29,30)21-9-3-2-6-18(21)16-23/h2-4,6-7,9-10,20H,5,8,11-15,17H2,1H3/t20-/m1/s1