ditert-butyl 1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-(piperidin-4-ylmethyl)piperazin-1-ium-1,4-dicarboxylate

Systemtic Name: ditert-butyl 1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-(piperidin-4-ylmethyl)piperazin-1-ium-1,4-dicarboxylate Openeye Name: ditert-butyl 1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-2-(4-piperidylmethyl)piperazin-1-ium-1,4-dicarboxylate CAS Name: 1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-2-(4-piperidinylmethyl)piperazin-1-ium-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-2-(piperidin-4-ylmethyl)piperazin-1-ium-1,4-dicarboxylate Traditional Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-2-(4-piperidylmethyl)piperazin-1-ium-1,4-dicarboxylic acid ditert-butyl ester Formula: C30H41ClN3O7S+ MolecularWeight: 623.18044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H41ClN3O7S/c1-29(2,3)40-27(36)33-15-16-34(28(37)41-30(4,5)6,25(26(33)35)17-20-11-13-32-14-12-20)42(38,39)24-10-8-21-18-23(31)9-7-22(21)19-24/h7-10,18-20,25,32H,11-17H2,1-6H3/q+1