4-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C24H26N6O4S MolecularWeight: 494.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C24H26N6O4S/c1-27-17-19(15-22(27)24(26)32)35(33,34)30-13-11-28(12-14-30)23(31)8-7-18-16-29(10-4-9-25)21-6-3-2-5-20(18)21/h2-3,5-8,15-17H,4,10-14H2,1H3,(H2,26,32)/b8-7+