1-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)urea

Systemtic Name: 1-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)urea Openeye Name: 1-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]urea CAS Name: 1-[1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]urea IUPAC Name: 1-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)urea Traditional Name: 1-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-3-(4-methyl-3-piperidinosulfonyl-phenyl)urea Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(CN2C=CN=C2)C(C)(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(CN2C=CN=C2)C(C)(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N5O3S/c1-17-8-9-18(14-19(17)31(29,30)27-11-6-5-7-12-27)24-21(28)25-20(22(2,3)4)15-26-13-10-23-16-26/h8-10,13-14,16,20H,5-7,11-12,15H2,1-4H3,(H2,24,25,28)