1-[(2-cyano-4-methylsulfonyl-phenyl)amino]-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]urea

Systemtic Name: 1-[(2-cyano-4-methylsulfonyl-phenyl)amino]-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]urea Openeye Name: 1-(2-cyano-4-methylsulfonyl-anilino)-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]urea CAS Name: 1-(2-cyano-4-methylsulfonylanilino)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]urea IUPAC Name: 1-(2-cyano-4-methylsulfonylanilino)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]urea Traditional Name: 1-(2-cyano-4-mesyl-anilino)-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]urea Formula: C31H46N4O4S MolecularWeight: 570.78634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)NC(=O)NNC2=C(C=C(C=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)NC(=O)NNC2=C(C=C(C=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C31H46N4O4S/c1-8-9-10-11-12-13-18-39-28-17-14-24(31(5,6)22-30(2,3)4)20-27(28)33-29(36)35-34-26-16-15-25(40(7,37)38)19-23(26)21-32/h14-17,19-20,34H,8-13,18,22H2,1-7H3,(H2,33,35,36)