2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: N,N-diethyl-2-[4-(3-indolin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-2-[4-(3-indolin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-3-27(4-2)24(30)19-26-14-16-28(17-15-26)25(31)21-9-7-10-22(18-21)34(32,33)29-13-12-20-8-5-6-11-23(20)29/h5-11,18H,3-4,12-17,19H2,1-2H3/p+1