tert-butyl 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methyl-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methyl-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methyl-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methyl-methylamino]acetate Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzyl)-methyl-amino]acetic acid tert-butyl ester Formula: C19H29ClN2O4S MolecularWeight: 416.96256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C19H29ClN2O4S/c1-19(2,3)26-18(23)14-21(4)13-15-12-16(8-9-17(15)20)27(24,25)22-10-6-5-7-11-22/h8-9,12H,5-7,10-11,13-14H2,1-4H3