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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methyl-5-pyrrolidinosulfonyl-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)N2CCCC2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCOCC4

InChI

InChI=1S/C25H33N3O5S/c1-19-5-10-22(34(30,31)28-11-3-4-12-28)17-23(19)25(29)26-18-24(27-13-15-33-16-14-27)20-6-8-21(32-2)9-7-20/h5-10,17,24H,3-4,11-16,18H2,1-2H3,(H,26,29)/p+1/t24-/m1/s1