N-(2-thiophen-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-thiophen-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2-thienyl)ethyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(2-thiophen-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-thiophen-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-mesitylsulfonyl-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CS3)C

InChI

InChI=1S/C20H27N3O3S2/c1-15-13-16(2)19(17(3)14-15)28(25,26)23-10-8-22(9-11-23)20(24)21-7-6-18-5-4-12-27-18/h4-5,12-14H,6-11H2,1-3H3,(H,21,24)