tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-methoxy-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-methoxy-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-methoxy-2-oxo-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-methoxy-2-oxo-3-(4-piperidinylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-methoxy-2-oxo-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-4-methoxy-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C26H35ClN3O6S+ MolecularWeight: 553.0906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(OC)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(OC)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H35ClN3O6S/c1-26(2,3)36-25(32)29-13-14-30(35-4,23(24(29)31)15-18-9-11-28-12-10-18)37(33,34)22-8-6-19-16-21(27)7-5-20(19)17-22/h5-8,16-18,23,28H,9-15H2,1-4H3/q+1