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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-chloranyl-4-oxidanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-chloro-4-hydroxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-chloro-4-hydroxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-chloro-4-hydroxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-chloro-4-hydroxy-benzamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O4S/c1-14-6-8-16(22-20(25)15-7-9-18(24)17(21)12-15)13-19(14)28(26,27)23-10-4-2-3-5-11-23/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,22,25)