tert-butyl 2-[5-azanylpentyl(phenylsulfonyl)amino]-2-bromanyl-ethanoate

Systemtic Name: tert-butyl 2-[5-azanylpentyl(phenylsulfonyl)amino]-2-bromanyl-ethanoate Openeye Name: tert-butyl 2-[5-aminopentyl(benzenesulfonyl)amino]-2-bromo-acetate CAS Name: 2-[5-aminopentyl(benzenesulfonyl)amino]-2-bromoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-aminopentyl(benzenesulfonyl)amino]-2-bromoacetate Traditional Name: 2-[5-aminopentyl(besyl)amino]-2-bromo-acetic acid tert-butyl ester Formula: C17H27BrN2O4S MolecularWeight: 435.37628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N(CCCCCN)S(=O)(=O)C1=CC=CC=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(N(CCCCCN)S(=O)(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C17H27BrN2O4S/c1-17(2,3)24-16(21)15(18)20(13-9-5-8-12-19)25(22,23)14-10-6-4-7-11-14/h4,6-7,10-11,15H,5,8-9,12-13,19H2,1-3H3