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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-bromophenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)-4-methoxy-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23BrN2O4S/c1-27-18-10-9-15(20(24)22-17-8-6-7-16(21)14-17)13-19(18)28(25,26)23-11-4-2-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)