5-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-methyl-benzamide Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H36N2O4S/c1-22-12-17-27(38(36,37)33-18-7-5-6-8-19-33)21-28(22)30(35)32-26-11-9-10-24(20-26)29(34)23-13-15-25(16-14-23)31(2,3)4/h9-17,20-21H,5-8,18-19H2,1-4H3,(H,32,35)