[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]ammonium CAS Name: [4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-ethyl-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C43)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C43)C

InChI

InChI=1S/C23H28N4O2S/c1-4-25(16-20-10-6-5-7-11-20)17-26-19(3)23(18(2)24-26)30(28,29)27-15-14-21-12-8-9-13-22(21)27/h5-13H,4,14-17H2,1-3H3/p+1