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

Systemtic Name: 1,1-dimethyl-3-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]pent-4-ynyl]urea Openeye Name: 3-[5-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]pent-4-ynyl]-1,1-dimethyl-urea CAS Name: 1,1-dimethyl-3-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]pent-4-ynyl]urea IUPAC Name: 1,1-dimethyl-3-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]pent-4-ynyl]urea Traditional Name: 3-[5-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]pent-4-ynyl]-1,1-dimethyl-urea Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16(2)27(25,26)22-15-17(3)19-12-10-18(11-13-19)9-7-6-8-14-21-20(24)23(4)5/h10-13,16-17,22H,6,8,14-15H2,1-5H3,(H,21,24)