[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-indolin-1-ylsulfonyl-2-methoxy-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-indolin-1-ylsulfonyl-2-methoxy-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C25H28N3O4S2+ MolecularWeight: 498.63752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C25H27N3O4S2/c1-32-24-9-8-21(34(30,31)28-11-10-19-5-2-3-7-23(19)28)17-22(24)25(29)27-14-12-26(13-15-27)18-20-6-4-16-33-20/h2-9,16-17H,10-15,18H2,1H3/p+1