N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3O5S/c1-18-7-8-19(32(28,29)26-11-14-30-15-12-26)16-20(18)23(27)24-17-21(22-6-5-13-31-22)25-9-3-2-4-10-25/h5-8,13,16,21H,2-4,9-12,14-15,17H2,1H3,(H,24,27)/p+1/t21-/m0/s1