N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-4-methyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-4-methyl-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-chloro-4-methylbenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloro-4-methylbenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-4-methyl-benzenesulfonamide Formula: C20H25ClN2O5S2 MolecularWeight: 473.0059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)Cl

InChI

InChI=1S/C20H25ClN2O5S2/c1-15-7-10-20(17(21)13-15)29(24,25)22-18-14-16(8-9-19(18)28-2)30(26,27)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3