(2S)-1-(benzotriazol-1-yl)-3-methyl-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-butan-1-imine

Systemtic Name: (2S)-1-(benzotriazol-1-yl)-3-methyl-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-butan-1-imine Openeye Name: (2S)-1-(benzotriazol-1-yl)-3-methyl-2-morpholin-4-ium-4-yl-N-(p-tolylsulfonylmethyl)butan-1-imine CAS Name: (2S)-1-(1-benzotriazolyl)-3-methyl-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-morpholin-4-iumyl)-1-butanimine IUPAC Name: (2S)-1-(benzotriazol-1-yl)-3-methyl-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-ylbutan-1-imine Traditional Name: [(2S)-1-(benzotriazol-1-yl)-3-methyl-2-morpholin-4-ium-4-yl-butylidene]-(tosylmethyl)amine Formula: C23H30N5O3S+ MolecularWeight: 456.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C(C(C)C)[NH+]2CCOCC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN=C([C@H](C(C)C)[NH+]2CCOCC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H29N5O3S/c1-17(2)22(27-12-14-31-15-13-27)23(28-21-7-5-4-6-20(21)25-26-28)24-16-32(29,30)19-10-8-18(3)9-11-19/h4-11,17,22H,12-16H2,1-3H3/p+1/t22-/m0/s1