tert-butyl 2-[[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-[(E)-(1-methyl-2-azepanylidene)amino]sulfonylanilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N=C3CCCCCN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=CC=C2)S(=O)(=O)/N=C/3\CCCCCN3C

InChI

InChI=1S/C23H34N4O5S/c1-23(2,3)32-22(29)27-15-9-12-19(27)21(28)24-17-10-8-11-18(16-17)33(30,31)25-20-13-6-5-7-14-26(20)4/h8,10-11,16,19H,5-7,9,12-15H2,1-4H3,(H,24,28)/b25-20+