N-(3-cyanothiophen-2-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-(4-mesitylsulfonylpiperazino)propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)C

InChI

InChI=1S/C21H26N4O3S2/c1-15-12-16(2)20(17(3)13-15)30(27,28)25-9-7-24(8-10-25)6-4-19(26)23-21-18(14-22)5-11-29-21/h5,11-13H,4,6-10H2,1-3H3,(H,23,26)