4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)heptanoylamino]benzamide

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)heptanoylamino]benzamide Openeye Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)heptanoylamino]benzamide CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)-1-oxoheptyl]amino]benzamide IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-propan-2-ylsulfonylphenyl)heptanoylamino]benzamide Traditional Name: 4-tert-butyl-3-[3-(4-isopropylsulfonyl-2-methoxy-phenyl)heptanoylamino]benzamide Formula: C28H40N2O5S MolecularWeight: 516.6926

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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=C(C=C(C=C2)S(=O)(=O)C(C)C)OC

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)N)C(C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)OC

InChI

InChI=1S/C28H40N2O5S/c1-8-9-10-19(22-13-12-21(17-25(22)35-7)36(33,34)18(2)3)16-26(31)30-24-15-20(27(29)32)11-14-23(24)28(4,5)6/h11-15,17-19H,8-10,16H2,1-7H3,(H2,29,32)(H,30,31)