N-[3-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-ethoxy-5-methoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-ethoxy-5-methoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-ethoxy-5-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-ethoxy-5-methoxy-benzamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-3-30-21-19(23)13-16(14-20(21)29-2)22(26)24-17-9-8-10-18(15-17)31(27,28)25-11-6-4-5-7-12-25/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,24,26)