3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]-N-(3-sulfamoylphenyl)propanamide CAS Name: 3-[3,5-dimethyl-N-(2-naphthalenylsulfonyl)anilino]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)-N-(3-sulfamoylphenyl)propanamide Traditional Name: 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]-N-(3-sulfamoylphenyl)propionamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C27H27N3O5S2/c1-19-14-20(2)16-24(15-19)30(37(34,35)26-11-10-21-6-3-4-7-22(21)17-26)13-12-27(31)29-23-8-5-9-25(18-23)36(28,32)33/h3-11,14-18H,12-13H2,1-2H3,(H,29,31)(H2,28,32,33)