N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,4-dimethoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethoxy-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-27-17-9-12-19(20(15-17)28-2)21(24)22-16-7-10-18(11-8-16)29(25,26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)