4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzamide

Systemtic Name: 4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzamide Openeye Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzamide CAS Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]-1-oxoheptyl]amino]benzamide IUPAC Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzamide Traditional Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-propylsulfonylpropoxy)phenyl]heptanoylamino]benzamide Formula: C31H45ClN2O6S MolecularWeight: 609.2168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)N)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCS(=O)(=O)CCC)Cl

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)N)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCS(=O)(=O)CCC)Cl

InChI

InChI=1S/C31H45ClN2O6S/c1-7-9-11-21(18-29(35)34-26-17-22(30(33)36)12-13-24(26)31(3,4)5)23-19-25(32)28(20-27(23)39-6)40-14-10-16-41(37,38)15-8-2/h12-13,17,19-21H,7-11,14-16,18H2,1-6H3,(H2,33,36)(H,34,35)