N-[(3S)-3-[(E)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminomethyl]-4-phenyl-butyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S)-3-[(E)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminomethyl]-4-phenyl-butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(3S,4E)-3-benzyl-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-butyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S)-3-[(E)-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]iminomethyl]-4-phenylbutyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S,4E)-3-benzyl-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminobutyl]-4-methylbenzenesulfonamide Traditional Name: N-[(3S,4E)-3-benzyl-4-[(2S)-2-(methoxymethyl)pyrrolidino]imino-butyl]-4-methyl-benzenesulfonamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(CC2=CC=CC=C2)C=NN3CCCC3COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H](CC2=CC=CC=C2)/C=N/N3CCC[C@H]3COC

InChI

InChI=1S/C24H33N3O3S/c1-20-10-12-24(13-11-20)31(28,29)26-15-14-22(17-21-7-4-3-5-8-21)18-25-27-16-6-9-23(27)19-30-2/h3-5,7-8,10-13,18,22-23,26H,6,9,14-17,19H2,1-2H3/b25-18+/t22-,23+/m1/s1