4-(azepan-1-ylsulfonyl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(5-bromo-2-methoxy-benzyl)-N-methyl-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4S/c1-24(16-18-15-19(23)9-12-21(18)29-2)22(26)17-7-10-20(11-8-17)30(27,28)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3