N-[4-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-3,5-dimethoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-3,5-dimethoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3,5-dimethoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-bromo-3,5-dimethoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3,5-dimethoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-bromo-3,5-dimethoxy-benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25BrN2O5S/c1-28-18-13-15(14-19(29-2)20(18)22)21(25)23-16-7-9-17(10-8-16)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)