N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-2-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-2-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CN=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CN=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H30N4O5S/c1-17(2)22(25-33(29,30)19-5-6-20-21(14-19)32-13-12-31-20)23(28)27-10-8-26(9-11-27)16-18-4-3-7-24-15-18/h3-7,14-15,17,22,25H,8-13,16H2,1-2H3/p+1/t22-/m0/s1