tert-butyl 2-[[4-[(Z)-N,N-dimethyl-N'-methylsulfonyl-carbamimidoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[(Z)-N,N-dimethyl-N'-methylsulfonyl-carbamimidoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-[(Z)-N,N-dimethyl-N'-methylsulfonyl-carbamimidoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(Z)-dimethylamino(methylsulfonylimino)methyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(Z)-N,N-dimethyl-N'-methylsulfonylcarbamimidoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-[(Z)-N'-mesyl-N,N-dimethyl-amidino]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C(=NS(=O)(=O)C)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5S/c1-20(2,3)29-19(26)24-13-7-8-16(24)18(25)21-15-11-9-14(10-12-15)17(23(4)5)22-30(6,27)28/h9-12,16H,7-8,13H2,1-6H3,(H,21,25)/b22-17-