N-(4-azanyl-2-chloranyl-5-octoxy-phenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-(4-azanyl-2-chloranyl-5-octoxy-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-(4-amino-2-chloro-5-octoxy-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-(4-amino-2-chloro-5-octoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-(4-amino-2-chloro-5-octoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-(4-amino-2-chloro-5-octoxy-phenyl)-4-methyl-benzenesulfonamide Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C)Cl)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C)Cl)N

InChI

InChI=1S/C21H29ClN2O3S/c1-3-4-5-6-7-8-13-27-21-15-20(18(22)14-19(21)23)24-28(25,26)17-11-9-16(2)10-12-17/h9-12,14-15,24H,3-8,13,23H2,1-2H3