tert-butyl N-[3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl]carbamate CAS Name: N-[3-oxo-3-[3-(1-pyrrolidinylsulfonyl)anilino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl]carbamate Traditional Name: N-[3-keto-3-(3-pyrrolidinosulfonylanilino)propyl]carbamic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)26-17(23)19-10-9-16(22)20-14-7-6-8-15(13-14)27(24,25)21-11-4-5-12-21/h6-8,13H,4-5,9-12H2,1-3H3,(H,19,23)(H,20,22)