tert-butyl 4-[[2-[(6-chloranylnaphthalen-2-yl)sulfonylamino]ethylamino]-cyano-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(6-chloranylnaphthalen-2-yl)sulfonylamino]ethylamino]-cyano-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(6-chloro-2-naphthyl)sulfonylamino]ethylamino]-cyano-methyl]piperidine-1-carboxylate CAS Name: 4-[[2-[(6-chloro-2-naphthalenyl)sulfonylamino]ethylamino]-cyanomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(6-chloronaphthalen-2-yl)sulfonylamino]ethylamino]-cyanomethyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[(6-chloro-2-naphthyl)sulfonylamino]ethylamino]-cyano-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31ClN4O4S MolecularWeight: 507.04534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)NCCNS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)NCCNS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN4O4S/c1-24(2,3)33-23(30)29-12-8-17(9-13-29)22(16-26)27-10-11-28-34(31,32)21-7-5-18-14-20(25)6-4-19(18)15-21/h4-7,14-15,17,22,27-28H,8-13H2,1-3H3