N-[4-[(4-cyanophenyl)carbamoylamino]-2-(4-methoxyphenoxy)-5-oxidanyl-phenyl]-2-hexadecylsulfonyl-3-methyl-butanamide

Systemtic Name: N-[4-[(4-cyanophenyl)carbamoylamino]-2-(4-methoxyphenoxy)-5-oxidanyl-phenyl]-2-hexadecylsulfonyl-3-methyl-butanamide Openeye Name: N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-hexadecylsulfonyl-3-methyl-butanamide CAS Name: N-[4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-hexadecylsulfonyl-3-methylbutanamide IUPAC Name: N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-hexadecylsulfonyl-3-methylbutanamide Traditional Name: 2-cetylsulfonyl-N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-3-methyl-butyramide Formula: C42H58N4O7S MolecularWeight: 762.99752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1OC2=CC=C(C=C2)OC)NC(=O)NC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1OC2=CC=C(C=C2)OC)NC(=O)NC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C42H58N4O7S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-54(50,51)40(31(2)3)41(48)45-37-28-38(47)36(29-39(37)53-35-25-23-34(52-4)24-26-35)46-42(49)44-33-21-19-32(30-43)20-22-33/h19-26,28-29,31,40,47H,5-18,27H2,1-4H3,(H,45,48)(H2,44,46,49)