2-morpholin-4-yl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-5-sulfamoyl-benzamide

Systemtic Name: 2-morpholin-4-yl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-5-sulfamoyl-benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-morpholino-5-sulfamoyl-benzamide CAS Name: 2-(4-morpholinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-sulfamoylbenzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-morpholin-4-yl-5-sulfamoylbenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-morpholino-5-sulfamoyl-benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S/c23-31(28,29)19-6-7-21(26-10-12-30-13-11-26)20(14-19)22(27)24-18-8-9-25(16-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,24,27)(H2,23,28,29)/p+1/t18-/m0/s1