[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-pyrrolidino-methanone Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C21H33N3O3S/c1-16-14-18(21(3,4)5)15-17(2)19(16)28(26,27)24-12-10-23(11-13-24)20(25)22-8-6-7-9-22/h14-15H,6-13H2,1-5H3