3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3-methoxyphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3-methoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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