5-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[(2,4-dimethoxybenzyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)OC

InChI

InChI=1S/C24H28N2O4S2/c1-29-21-9-7-19(24(13-21)30-2)14-25-15-20-12-22(31)16-26(20)32(27,28)23-10-8-17-5-3-4-6-18(17)11-23/h3-11,13,20,22,25,31H,12,14-16H2,1-2H3