2-[(4-methylnaphthalen-1-yl)sulfonyl-propyl-amino]benzoic acid

Systemtic Name: 2-[(4-methylnaphthalen-1-yl)sulfonyl-propyl-amino]benzoic acid Openeye Name: 2-[(4-methyl-1-naphthyl)sulfonyl-propyl-amino]benzoic acid CAS Name: 2-[(4-methyl-1-naphthalenyl)sulfonyl-propylamino]benzoic acid IUPAC Name: 2-[(4-methylnaphthalen-1-yl)sulfonyl-propylamino]benzoic acid Traditional Name: 2-[(4-methyl-1-naphthyl)sulfonyl-propyl-amino]benzoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)C

Isomeric SMILES

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)C

InChI

InChI=1S/C21H21NO4S/c1-3-14-22(19-11-7-6-10-18(19)21(23)24)27(25,26)20-13-12-15(2)16-8-4-5-9-17(16)20/h4-13H,3,14H2,1-2H3,(H,23,24)