3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3,5-dimethylphenyl)-naphthalen-2-ylsulfonyl-amino]propanoate Openeye Name: 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propanoate CAS Name: 3-[3,5-dimethyl-N-(2-naphthalenylsulfonyl)anilino]propanoate IUPAC Name: 3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanoate Traditional Name: 3-[3,5-dimethyl-N-(2-naphthylsulfonyl)anilino]propionate Formula: C21H20NO4S- MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H21NO4S/c1-15-11-16(2)13-19(12-15)22(10-9-21(23)24)27(25,26)20-8-7-17-5-3-4-6-18(17)14-20/h3-8,11-14H,9-10H2,1-2H3,(H,23,24)/p-1