N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-4-hydroxy-N3-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-4-hydroxy-N3-[[2-(1-pyrrolidinyl)phenyl]methyl]benzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-4-hydroxy-3-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-hydroxy-N'-(2-pyrrolidinobenzyl)benzene-1,3-disulfonamide Formula: C24H26ClN3O5S2 MolecularWeight: 536.06334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C24H26ClN3O5S2/c1-17-20(25)8-6-9-21(17)27-34(30,31)19-11-12-23(29)24(15-19)35(32,33)26-16-18-7-2-3-10-22(18)28-13-4-5-14-28/h2-3,6-12,15,26-27,29H,4-5,13-14,16H2,1H3