5-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(E)-prop-1-enyl]-N-propyl-pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: 5-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(E)-prop-1-enyl]-N-propyl-pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 5-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(E)-prop-1-enyl]-N-propyl-pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 5-(1-acetamido-2-methoxy-2-methylpentyl)-4-[(E)-prop-1-enyl]-N-propyl-2-pyrrolidinecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 5-(1-acetamido-2-methoxy-2-methylpentyl)-4-[(E)-prop-1-enyl]-N-propylpyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(E)-prop-1-enyl]-N-propyl-pyrrolidine-2-carboxamide; tosylic acid Formula: C27H45N3O6S MolecularWeight: 539.7277

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C(CC(N1)C(=O)NCCC)C=CC)NC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(C)(C(C1C(CC(N1)C(=O)NCCC)/C=C/C)NC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H37N3O3.C7H8O3S/c1-7-10-15-13-16(19(25)21-12-9-3)23-17(15)18(22-14(4)24)20(5,26-6)11-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h7,10,15-18,23H,8-9,11-13H2,1-6H3,(H,21,25)(H,22,24);2-5H,1H3,(H,8,9,10)/b10-7+;