[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(3-indolin-1-ylsulfonylphenyl)methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-indolin-1-ylsulfonylphenyl)methanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O3S/c1-2-22-12-14-23(15-13-22)21(25)18-7-5-8-19(16-18)28(26,27)24-11-10-17-6-3-4-9-20(17)24/h3-9,16H,2,10-15H2,1H3/p+1