N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C30H36N2O4S/c1-21-12-13-22(2)27(19-21)32(37(6,35)36)18-8-11-28(33)31-26-10-7-9-24(20-26)29(34)23-14-16-25(17-15-23)30(3,4)5/h7,9-10,12-17,19-20H,8,11,18H2,1-6H3,(H,31,33)