N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-[[(E)-styryl]sulfonylamino]benzamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-[[(E)-styryl]sulfonylamino]benzamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O4S/c1-23(2,26-13-15-30-16-14-26)18-24-22(27)20-8-10-21(11-9-20)25-31(28,29)17-12-19-6-4-3-5-7-19/h3-12,17,25H,13-16,18H2,1-2H3,(H,24,27)/p+1/b17-12+