N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c30-26(27-25(23-9-5-2-6-10-23)21-28-16-18-33-19-17-28)24-11-14-29(15-12-24)34(31,32)20-13-22-7-3-1-4-8-22/h1-10,13,20,24-25H,11-12,14-19,21H2,(H,27,30)/p+1/b20-13+/t25-/m1/s1