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

Systemtic Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methyl-benzamide Openeye Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methyl-benzamide CAS Name: 3-acetamido-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methylbenzamide IUPAC Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methylbenzamide Traditional Name: 3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)NC(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-16-8-10-19(14-21(16)24-18(3)27)23(28)25-20-11-9-17(2)22(15-20)31(29,30)26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,27)(H,25,28)