tert-butyl N-[3-[4-[(E)-N'-methylsulfonylcarbamimidoyl]phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(E)-N'-methylsulfonylcarbamimidoyl]phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[4-[(E)-N'-methylsulfonylcarbamimidoyl]phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]carbamate CAS Name: N-[3-[4-[(E)-amino(methylsulfonylimino)methyl]phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(E)-N'-methylsulfonylcarbamimidoyl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate Traditional Name: N-[2-keto-1-[4-[(E)-N'-mesylamidino]benzyl]-2-pyrrolidino-ethyl]carbamic acid tert-butyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=NS(=O)(=O)C)N)C(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)/C(=N\S(=O)(=O)C)/N)C(=O)N2CCCC2

InChI

InChI=1S/C20H30N4O5S/c1-20(2,3)29-19(26)22-16(18(25)24-11-5-6-12-24)13-14-7-9-15(10-8-14)17(21)23-30(4,27)28/h7-10,16H,5-6,11-13H2,1-4H3,(H2,21,23)(H,22,26)