[4-(1,3-dithiolan-2-yl)phenyl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[methyl(2-naphthylsulfonyl)amino]acetate CAS Name: 2-[methyl(2-naphthalenylsulfonyl)amino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate Traditional Name: 2-[methyl(2-naphthylsulfonyl)amino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H21NO4S3 MolecularWeight: 459.60144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(CC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21NO4S3/c1-23(30(25,26)20-11-8-16-4-2-3-5-18(16)14-20)15-21(24)27-19-9-6-17(7-10-19)22-28-12-13-29-22/h2-11,14,22H,12-13,15H2,1H3