1,5-dimethyl-4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(E)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]prop-1-enyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(E)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]prop-1-enyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(E)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]pyrrole-2-carbonitrile Traditional Name: 4-[(E)-3-keto-3-(4-piperidinosulfonylphenyl)prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O3S/c1-16-18(14-19(15-22)23(16)2)8-11-21(25)17-6-9-20(10-7-17)28(26,27)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13H2,1-2H3/b11-8+