tert-butyl N-[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazin-1-ium-1-yl]-phenyl-methyl]carbamate

Systemtic Name: tert-butyl N-[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazin-1-ium-1-yl]-phenyl-methyl]carbamate Openeye Name: tert-butyl N-[[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-piperazin-1-ium-1-yl]-phenyl-methyl]carbamate CAS Name: N-[[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-1-piperazin-1-iumyl]-phenylmethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxopiperazin-1-ium-1-yl]-phenylmethyl]carbamate Traditional Name: N-[[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-piperazin-1-ium-1-yl]-phenyl-methyl]carbamic acid tert-butyl ester Formula: C26H29ClN3O5S+ MolecularWeight: 531.04356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)[N+]2(CCNC(=O)C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)[N+]2(CCNC(=O)C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O5S/c1-26(2,3)35-25(32)29-24(18-7-5-4-6-8-18)30(14-13-28-23(31)17-30)36(33,34)22-12-10-19-15-21(27)11-9-20(19)16-22/h4-12,15-16,24H,13-14,17H2,1-3H3,(H-,28,29,31,32)/p+1