1,1-dimethyl-3-[6-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]hex-5-ynyl]urea

Systemtic Name: 1,1-dimethyl-3-[6-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]hex-5-ynyl]urea Openeye Name: 3-[6-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]hex-5-ynyl]-1,1-dimethyl-urea CAS Name: 1,1-dimethyl-3-[6-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]hex-5-ynyl]urea IUPAC Name: 1,1-dimethyl-3-[6-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]hex-5-ynyl]urea Traditional Name: 3-[6-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]hex-5-ynyl]-1,1-dimethyl-urea Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C#CCCCCNC(=O)N(C)C

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C#CCCCCNC(=O)N(C)C

InChI

InChI=1S/C21H33N3O3S/c1-17(2)28(26,27)23-16-18(3)20-13-11-19(12-14-20)10-8-6-7-9-15-22-21(25)24(4)5/h11-14,17-18,23H,6-7,9,15-16H2,1-5H3,(H,22,25)