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

Systemtic Name: tert-butyl 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methylamino]ethanoate Openeye Name: tert-butyl 2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methylamino]acetate CAS Name: 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methylamino]acetate Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzyl)amino]acetic acid tert-butyl ester Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H27ClN2O4S/c1-18(2,3)25-17(22)13-20-12-14-11-15(7-8-16(14)19)26(23,24)21-9-5-4-6-10-21/h7-8,11,20H,4-6,9-10,12-13H2,1-3H3