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

Systemtic Name: tert-butyl 4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H30ClN3O5S/c1-24(2,3)33-23(30)26-10-8-20(9-11-26)28-13-12-27(16-22(28)29)34(31,32)21-7-5-17-14-19(25)6-4-18(17)15-21/h4-7,14-15,20H,8-13,16H2,1-3H3