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

Systemtic Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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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=CC=C3OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC[C@H](C3=CC=CC=C3OC)[NH+]4CCCC4

InChI

InChI=1S/C25H33N3O5S/c1-19-9-10-20(34(30,31)28-13-15-33-16-14-28)17-22(19)25(29)26-18-23(27-11-5-6-12-27)21-7-3-4-8-24(21)32-2/h3-4,7-10,17,23H,5-6,11-16,18H2,1-2H3,(H,26,29)/p+1/t23-/m1/s1