tert-butyl (E)-3-azanyl-5-(phenylsulfonyl)pent-4-enoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl (E)-3-azanyl-5-(phenylsulfonyl)pent-4-enoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl (E)-3-amino-5-(benzenesulfonyl)pent-4-enoate; 4-methylbenzenesulfonic acid CAS Name: (E)-3-amino-5-(benzenesulfonyl)-4-pentenoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl (E)-3-amino-5-(benzenesulfonyl)pent-4-enoate; 4-methylbenzenesulfonic acid Traditional Name: (E)-3-amino-5-besyl-pent-4-enoic acid tert-butyl ester; tosylic acid Formula: C22H29NO7S2 MolecularWeight: 483.59816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)CC(C=CS(=O)(=O)C1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)CC(/C=C/S(=O)(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C15H21NO4S.C7H8O3S/c1-15(2,3)20-14(17)11-12(16)9-10-21(18,19)13-7-5-4-6-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,12H,11,16H2,1-3H3;2-5H,1H3,(H,8,9,10)/b10-9+;