tert-butyl 4-[[4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[4-(1-imidazolylmethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O5S MolecularWeight: 517.6409

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(C=C3)CN4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C25H35N5O5S/c1-25(2,3)35-24(32)28-11-8-21(9-12-28)17-29-14-15-30(18-23(29)31)36(33,34)22-6-4-20(5-7-22)16-27-13-10-26-19-27/h4-7,10,13,19,21H,8-9,11-12,14-18H2,1-3H3