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

Systemtic Name: tert-butyl 1-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]amino]piperidin-1-ium-1-carboxylate CAS Name: 1-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]amino]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]piperidin-1-ium-1-carboxylate Traditional Name: 1-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]amino]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H32ClN4O5S+ MolecularWeight: 524.05268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C24H32ClN4O5S/c1-24(2,3)34-23(31)29(13-5-4-6-14-29)26-28-12-11-27(17-22(28)30)35(32,33)21-10-8-18-15-20(25)9-7-19(18)16-21/h7-10,15-16,26H,4-6,11-14,17H2,1-3H3/q+1