5-(azepan-1-ylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[1-(4-bromophenyl)ethyl]-2-methoxy-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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