tert-butyl N-[1-[(3-chlorophenyl)methylamino]-4-methylsulfonyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-chlorophenyl)methylamino]-4-methylsulfonyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[(3-chlorophenyl)methylamino]methyl]-3-methylsulfonyl-propyl]carbamate CAS Name: N-[1-[(3-chlorophenyl)methylamino]-4-methylsulfonylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(3-chlorophenyl)methylamino]-4-methylsulfonylbutan-2-yl]carbamate Traditional Name: N-[1-[[(3-chlorobenzyl)amino]methyl]-3-mesyl-propyl]carbamic acid tert-butyl ester Formula: C17H27ClN2O4S MolecularWeight: 390.92528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CNCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCS(=O)(=O)C)CNCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C17H27ClN2O4S/c1-17(2,3)24-16(21)20-15(8-9-25(4,22)23)12-19-11-13-6-5-7-14(18)10-13/h5-7,10,15,19H,8-9,11-12H2,1-4H3,(H,20,21)