tert-butyl 4-[[4-[5-(4-chlorophenyl)thiophen-2-yl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[5-(4-chlorophenyl)thiophen-2-yl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[[5-(4-chlorophenyl)-2-thienyl]sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[[5-(4-chlorophenyl)-2-thiophenyl]sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[5-(4-chlorophenyl)thiophen-2-yl]sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[[5-(4-chlorophenyl)-2-thienyl]sulfonyl]-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32ClN3O5S2 MolecularWeight: 554.12168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H32ClN3O5S2/c1-25(2,3)34-24(31)27-12-10-18(11-13-27)16-28-14-15-29(17-22(28)30)36(32,33)23-9-8-21(35-23)19-4-6-20(26)7-5-19/h4-9,18H,10-17H2,1-3H3