3-(azepan-1-ylsulfonyl)-N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-benzamide Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C31H37N3O4S/c1-22-12-13-24(20-28(22)39(37,38)34-18-7-5-6-8-19-34)30(36)33-27-11-9-10-26(21-27)32-29(35)23-14-16-25(17-15-23)31(2,3)4/h9-17,20-21H,5-8,18-19H2,1-4H3,(H,32,35)(H,33,36)