(2R)-N-(4-methoxyphenyl)-3-methyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide

Systemtic Name: (2R)-N-(4-methoxyphenyl)-3-methyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-butanamide Openeye Name: (2R)-N-(4-methoxyphenyl)-3-methyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]butanamide CAS Name: (2R)-N-(4-methoxyphenyl)-3-methyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]butanamide IUPAC Name: (2R)-N-(4-methoxyphenyl)-3-methyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylbutanamide Traditional Name: (2R)-N-(4-methoxyphenyl)-3-methyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]butyramide Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4O4S2/c1-16(2)21(22(27)24-17-5-7-18(30-4)8-6-17)31-20-10-9-19(15-23-20)32(28,29)26-13-11-25(3)12-14-26/h5-10,15-16,21H,11-14H2,1-4H3,(H,24,27)/p+1/t21-/m1/s1