1-(4-methylphenyl)sulfonyl-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]urea Openeye Name: 1-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]urea Traditional Name: 1-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-3-tosyl-urea Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-16-8-10-19(11-9-16)29(26,27)23-21(25)22-17(2)20(18-6-4-3-5-7-18)24-12-14-28-15-13-24/h3-11,17,20H,12-15H2,1-2H3,(H2,22,23,25)/p+1/t17-,20-/m1/s1