5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(3-methoxyphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(3-methoxyphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(3-methoxyphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(3-methoxyphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-m-anisyl-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-28-17-8-6-7-16(13-17)15-23-21(25)19-14-18(9-10-20(19)22)29(26,27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,23,25)