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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-5-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methoxy-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-5-morpholinosulfonyl-benzamide Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C22H29N3O6S/c1-29-20-7-6-17(32(27,28)25-10-13-30-14-11-25)15-18(20)22(26)23-16-19(21-5-4-12-31-21)24-8-2-3-9-24/h4-7,12,15,19H,2-3,8-11,13-14,16H2,1H3,(H,23,26)/p+1/t19-/m0/s1