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

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-indolin-1-ylsulfonylphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-indolin-1-ylsulfonylphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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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)CCOC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4S/c31-27(29-17-15-28(16-18-29)19-20-34-24-9-2-1-3-10-24)23-8-6-11-25(21-23)35(32,33)30-14-13-22-7-4-5-12-26(22)30/h1-12,21H,13-20H2/p+1