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

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-indolin-1-ylsulfonylphenyl)methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-indolin-1-ylsulfonylphenyl)methanone Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-26(28-17-15-27(16-18-28)20-21-7-2-1-3-8-21)23-10-6-11-24(19-23)33(31,32)29-14-13-22-9-4-5-12-25(22)29/h1-12,19H,13-18,20H2/p+1