N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H29N3O5S/c1-17-4-9-21(30-17)20(24-12-14-29-15-13-24)16-23-22(26)18-5-7-19(8-6-18)31(27,28)25-10-2-3-11-25/h4-9,20H,2-3,10-16H2,1H3,(H,23,26)/p+1/t20-/m0/s1