3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-bromophenyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-methyl-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-15-6-7-16(20(24)22-18-10-8-17(21)9-11-18)14-19(15)27(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)