2-[4-[(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H28N4O3S/c1-4-11-27-18(2)16-20(19(27)3)9-10-23(28)25-12-14-26(15-13-25)31(29,30)22-8-6-5-7-21(22)17-24/h5-10,16H,4,11-15H2,1-3H3/b10-9+