3-[6-[(4-chlorophenyl)sulfonylamino]-2-(2-nitrooxyethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid

Systemtic Name: 3-[6-[(4-chlorophenyl)sulfonylamino]-2-(2-nitrooxyethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid Openeye Name: 3-[2-[(4-chlorophenyl)sulfonylamino]-6-(2-nitrooxyethyl)tetralin-5-yl]propanoic acid CAS Name: 3-[6-[(4-chlorophenyl)sulfonylamino]-2-(2-nitrooxyethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid IUPAC Name: 3-[6-[(4-chlorophenyl)sulfonylamino]-2-(2-nitrooxyethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid Traditional Name: 3-[2-[(4-chlorophenyl)sulfonylamino]-6-(2-nitrooxyethyl)tetralin-5-yl]propionic acid Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC(=C2CCC(=O)O)CCO[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC(=C2CCC(=O)O)CCO[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN2O7S/c22-16-3-6-18(7-4-16)32(29,30)23-17-5-8-20-15(13-17)2-1-14(11-12-31-24(27)28)19(20)9-10-21(25)26/h1-4,6-7,17,23H,5,8-13H2,(H,25,26)