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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-iodophenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-iodophenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-iodophenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-iodophenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-iodophenyl)-4-methoxy-benzamide Formula: C20H23IN2O4S MolecularWeight: 514.37709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN2O4S/c1-27-18-11-6-15(20(24)22-17-9-7-16(21)8-10-17)14-19(18)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)