4-[4-[3-[2-azanylethyl(methyl)amino]pyrrolidin-1-yl]sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[2-azanylethyl(methyl)amino]pyrrolidin-1-yl]sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-[2-aminoethyl(methyl)amino]pyrrolidin-1-yl]sulfonylphenyl]benzonitrile CAS Name: 4-[4-[[3-[2-aminoethyl(methyl)amino]-1-pyrrolidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-[3-[2-aminoethyl(methyl)amino]pyrrolidin-1-yl]sulfonylphenyl]benzonitrile Traditional Name: 4-[4-[3-[2-aminoethyl(methyl)amino]pyrrolidino]sulfonylphenyl]benzonitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN)C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CCN)C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H24N4O2S/c1-23(13-11-21)19-10-12-24(15-19)27(25,26)20-8-6-18(7-9-20)17-4-2-16(14-22)3-5-17/h2-9,19H,10-13,15,21H2,1H3