2-methyl-1-(phenylsulfonyl)-4-piperazin-1-yl-indole; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-methyl-1-(phenylsulfonyl)-4-piperazin-1-yl-indole; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-yl-indole; 2,2,2-trifluoroacetic acid CAS Name: 1-(benzenesulfonyl)-2-methyl-4-(1-piperazinyl)indole; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole; 2,2,2-trifluoroacetic acid Traditional Name: 1-besyl-2-methyl-4-piperazino-indole; 2,2,2-trifluoroacetic acid Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H21N3O2S.C2HF3O2/c1-15-14-17-18(21-12-10-20-11-13-21)8-5-9-19(17)22(15)25(23,24)16-6-3-2-4-7-16;3-2(4,5)1(6)7/h2-9,14,20H,10-13H2,1H3;(H,6,7)