tert-butyl 4-[[3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-[4-(1-imidazolylmethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O5S MolecularWeight: 517.6409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4

InChI

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