5-chloranyl-2-methoxy-N-[(3-methylphenyl)methyl]-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[(3-methylphenyl)methyl]-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: 5-chloro-2-methoxy-N-(m-tolylmethyl)-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: 5-chloro-N-(2-keto-2-piperazino-ethyl)-2-methoxy-N-(3-methylbenzyl)benzenesulfonamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O4S/c1-16-4-3-5-17(12-16)14-25(15-21(26)24-10-8-23-9-11-24)30(27,28)20-13-18(22)6-7-19(20)29-2/h3-7,12-13,23H,8-11,14-15H2,1-2H3