5-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-phenoxy-phenyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-phenoxy-phenyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(5-chloro-2-phenoxy-phenyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(5-chloro-2-phenoxyphenyl)-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(5-chloro-2-phenoxyphenyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(5-chloro-2-phenoxy-phenyl)-2-methyl-benzamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O4S/c1-19-11-13-22(34(31,32)29-15-7-2-3-8-16-29)18-23(19)26(30)28-24-17-20(27)12-14-25(24)33-21-9-5-4-6-10-21/h4-6,9-14,17-18H,2-3,7-8,15-16H2,1H3,(H,28,30)