3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-ethoxy-3-methoxy-phenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-ethoxy-3-methoxy-benzyl)benzamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H29ClN2O5S/c1-3-31-20-11-8-17(14-21(20)30-2)16-25-23(27)18-9-10-19(24)22(15-18)32(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,3-7,12-13,16H2,1-2H3,(H,25,27)