N-[4-[(3,4-dichlorophenyl)carbamoylamino]-3-oxidanyl-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide

Systemtic Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-3-oxidanyl-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide Openeye Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-3-hydroxy-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide CAS Name: N-[4-[[(3,4-dichloroanilino)-oxomethyl]amino]-3-hydroxyphenyl]-2-dodecylsulfonyl-3-methylbutanamide IUPAC Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-3-hydroxyphenyl]-2-dodecylsulfonyl-3-methylbutanamide Traditional Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-3-hydroxy-phenyl]-2-laurylsulfonyl-3-methyl-butyramide Formula: C30H43Cl2N3O5S MolecularWeight: 628.65052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C30H43Cl2N3O5S/c1-4-5-6-7-8-9-10-11-12-13-18-41(39,40)28(21(2)3)29(37)33-23-15-17-26(27(36)20-23)35-30(38)34-22-14-16-24(31)25(32)19-22/h14-17,19-21,28,36H,4-13,18H2,1-3H3,(H,33,37)(H2,34,35,38)