3-(cyclopropylamino)-4-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclopropylamino)-4-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclopropylamino)-4-[4-[4-(3-thienyl)phenyl]sulfonyl-1-piperidyl]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclopropylamino)-4-[4-[4-(3-thiophenyl)phenyl]sulfonyl-1-piperidinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclopropylamino)-4-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclopropylamino)-4-[4-[4-(3-thienyl)phenyl]sulfonylpiperidino]cyclobut-3-ene-1,2-quinone Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C(=O)C2=O)N3CCC(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CSC=C5

Isomeric SMILES

C1CC1NC2=C(C(=O)C2=O)N3CCC(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CSC=C5

InChI

InChI=1S/C22H22N2O4S2/c25-21-19(23-16-3-4-16)20(22(21)26)24-10-7-18(8-11-24)30(27,28)17-5-1-14(2-6-17)15-9-12-29-13-15/h1-2,5-6,9,12-13,16,18,23H,3-4,7-8,10-11H2