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

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-indolin-1-ylsulfonylphenyl)methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-indolin-1-ylsulfonylphenyl)methanone Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H25N3O4S/c25-15-14-22-10-12-23(13-11-22)21(26)18-5-3-6-19(16-18)29(27,28)24-9-8-17-4-1-2-7-20(17)24/h1-7,16,25H,8-15H2/p+1