2-[cyclohexyl-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-amino]propanoic acid

Systemtic Name: 2-[cyclohexyl-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-amino]propanoic acid Openeye Name: 2-[cyclohexyl-[[5-(dimethylamino)-1-naphthyl]sulfonyl]amino]propanoic acid CAS Name: 2-[cyclohexyl-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]propanoic acid IUPAC Name: 2-[cyclohexyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid Traditional Name: 2-[cyclohexyl(naphthionyl)amino]propionic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC(C(=O)O)N(C1CCCCC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C21H28N2O4S/c1-15(21(24)25)23(16-9-5-4-6-10-16)28(26,27)20-14-8-11-17-18(20)12-7-13-19(17)22(2)3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,24,25)