methyl 1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C22H21ClFN3O5S MolecularWeight: 493.935643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O5S/c1-32-22(29)17-13-26(20-5-3-2-4-16(17)20)14-21(28)25-8-10-27(11-9-25)33(30,31)15-6-7-19(24)18(23)12-15/h2-7,12-13H,8-11,14H2,1H3