(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[4-(4-ethylpiperazino)sulfonylphenyl]acrylamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC)C

InChI

InChI=1S/C25H33N5O3S/c1-5-11-30-19(3)16-21(20(30)4)17-22(18-26)25(31)27-23-7-9-24(10-8-23)34(32,33)29-14-12-28(6-2)13-15-29/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,27,31)/b22-17+