2-chloranyl-N-[(3,4-diethoxyphenyl)methyl]-5-methylsulfonyl-N-propyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[(3,4-diethoxyphenyl)methyl]-5-methylsulfonyl-N-propyl-benzenesulfonamide Openeye Name: 2-chloro-N-[(3,4-diethoxyphenyl)methyl]-5-methylsulfonyl-N-propyl-benzenesulfonamide CAS Name: 2-chloro-N-[(3,4-diethoxyphenyl)methyl]-5-methylsulfonyl-N-propylbenzenesulfonamide IUPAC Name: 2-chloro-N-[(3,4-diethoxyphenyl)methyl]-5-methylsulfonyl-N-propylbenzenesulfonamide Traditional Name: 2-chloro-N-(3,4-diethoxybenzyl)-5-mesyl-N-propyl-benzenesulfonamide Formula: C21H28ClNO6S2 MolecularWeight: 490.03312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)OCC)OCC)S(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)OCC)OCC)S(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H28ClNO6S2/c1-5-12-23(15-16-8-11-19(28-6-2)20(13-16)29-7-3)31(26,27)21-14-17(30(4,24)25)9-10-18(21)22/h8-11,13-14H,5-7,12,15H2,1-4H3