2-[4-(4-chlorophenyl)sulfanyl-7-methoxy-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanyl-7-methoxy-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate Openeye Name: 2-[4-(4-chlorophenyl)sulfanyl-7-methoxy-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate CAS Name: 2-[4-[(4-chlorophenyl)thio]-7-methoxy-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate IUPAC Name: 2-[4-(4-chlorophenyl)sulfanyl-7-methoxy-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate Traditional Name: 2-[4-[(4-chlorophenyl)thio]-5-mesyl-7-methoxy-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]propionate Formula: C22H21ClNO5S2- MolecularWeight: 478.98884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN2C1=C(C3=C(C=C(C=C32)OC)S(=O)(=O)C)SC4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC(C1CCN2C1=C(C3=C(C=C(C=C32)OC)S(=O)(=O)C)SC4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C22H22ClNO5S2/c1-12(22(25)26)16-8-9-24-17-10-14(29-2)11-18(31(3,27)28)19(17)21(20(16)24)30-15-6-4-13(23)5-7-15/h4-7,10-12,16H,8-9H2,1-3H3,(H,25,26)/p-1