4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H33N3O5S/c1-19-5-7-20(8-6-19)22(18-27-13-15-33-16-14-27)26-25(29)21-9-10-23(32-2)24(17-21)34(30,31)28-11-3-4-12-28/h5-10,17,22H,3-4,11-16,18H2,1-2H3,(H,26,29)/p+1/t22-/m1/s1