3,3-dimethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-2-one

Systemtic Name: 3,3-dimethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-2-one Openeye Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3,3-dimethyl-piperazin-2-one CAS Name: 3,3-dimethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-2-piperazinone IUPAC Name: 3,3-dimethyl-4-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperazin-2-one Traditional Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3,3-dimethyl-piperazin-2-one Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCNC(=O)C3(C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCNC(=O)C3(C)C

InChI

InChI=1S/C21H30N4O3S/c1-16(2)29(27,28)20-23-14-18(15-24-13-11-22-19(26)21(24,3)4)25(20)12-10-17-8-6-5-7-9-17/h5-9,14,16H,10-13,15H2,1-4H3,(H,22,26)