1-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide

Systemtic Name: 1-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoyl]-2,3-dihydroindole-5-sulfonamide Openeye Name: 1-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]indoline-5-sulfonamide CAS Name: 1-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,3-dihydroindole-5-sulfonamide IUPAC Name: 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide Traditional Name: 1-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]indoline-5-sulfonamide Formula: C22H31N6O3S+ MolecularWeight: 459.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C22H30N6O3S/c1-15(2)22-24-16(3)12-20(25-22)27-10-8-26(9-11-27)14-21(29)28-7-6-17-13-18(32(23,30)31)4-5-19(17)28/h4-5,12-13,15H,6-11,14H2,1-3H3,(H2,23,30,31)/p+1