4-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide

Systemtic Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide Openeye Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide CAS Name: 4-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]benzamide IUPAC Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]benzamide Traditional Name: 4-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O4S/c1-16-7-10-20(15-21(16)30(28,29)25-13-5-3-4-6-14-25)24-22(27)18-8-11-19(12-9-18)23-17(2)26/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)(H,24,27)