4-(4-tert-butylphenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-21(2,3)17-6-8-19(9-7-17)29(26,27)24-14-12-23(13-15-24)20(25)22-11-10-18-5-4-16-28-18/h4-9,16H,10-15H2,1-3H3,(H,22,25)