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

Systemtic Name: N-[4-[(4-cyanophenyl)carbamoylamino]-3-oxidanyl-phenyl]-2-hexadecylsulfonyl-3-methyl-butanamide Openeye Name: N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-phenyl]-2-hexadecylsulfonyl-3-methyl-butanamide CAS Name: N-[4-[[(4-cyanoanilino)-oxomethyl]amino]-3-hydroxyphenyl]-2-hexadecylsulfonyl-3-methylbutanamide IUPAC Name: N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]-2-hexadecylsulfonyl-3-methylbutanamide Traditional Name: 2-cetylsulfonyl-N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-phenyl]-3-methyl-butyramide Formula: C35H52N4O5S MolecularWeight: 640.87618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C35H52N4O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-45(43,44)33(27(2)3)34(41)37-30-22-23-31(32(40)25-30)39-35(42)38-29-20-18-28(26-36)19-21-29/h18-23,25,27,33,40H,4-17,24H2,1-3H3,(H,37,41)(H2,38,39,42)