2-[5-chloranyl-1-(phenylsulfonyl)-2-(1,3-thiazol-2-ylcarbonyl)indol-3-yl]propanoate

Systemtic Name: 2-[5-chloranyl-1-(phenylsulfonyl)-2-(1,3-thiazol-2-ylcarbonyl)indol-3-yl]propanoate Openeye Name: 2-[1-(benzenesulfonyl)-5-chloro-2-(thiazole-2-carbonyl)indol-3-yl]propanoate CAS Name: 2-[1-(benzenesulfonyl)-5-chloro-2-[oxo(2-thiazolyl)methyl]-3-indolyl]propanoate IUPAC Name: 2-[1-(benzenesulfonyl)-5-chloro-2-(1,3-thiazole-2-carbonyl)indol-3-yl]propanoate Traditional Name: 2-[1-besyl-5-chloro-2-(thiazole-2-carbonyl)indol-3-yl]propionate Formula: C21H14ClN2O5S2- MolecularWeight: 473.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=NC=CS4)C(=O)[O-]

Isomeric SMILES

CC(C1=C(N(C2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=NC=CS4)C(=O)[O-]

InChI

InChI=1S/C21H15ClN2O5S2/c1-12(21(26)27)17-15-11-13(22)7-8-16(15)24(18(17)19(25)20-23-9-10-30-20)31(28,29)14-5-3-2-4-6-14/h2-12H,1H3,(H,26,27)/p-1