tert-butyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-cyano-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-cyano-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-cyano-methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-cyanomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-cyanomethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-cyano-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31ClN4O5S MolecularWeight: 547.06614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O5S/c1-26(2,3)36-25(33)29-10-8-18(9-11-29)23(16-28)31-13-12-30(17-24(31)32)37(34,35)22-7-5-19-14-21(27)6-4-20(19)15-22/h4-7,14-15,18,23H,8-13,17H2,1-3H3