tert-butyl 1-(6-chloranylnaphthalen-2-yl)sulfonyl-5-oxidanylidene-2-(piperidin-4-ylmethyl)-1,4-diazepan-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(6-chloranylnaphthalen-2-yl)sulfonyl-5-oxidanylidene-2-(piperidin-4-ylmethyl)-1,4-diazepan-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(6-chloro-2-naphthyl)sulfonyl]-5-oxo-2-(4-piperidylmethyl)-1,4-diazepan-1-ium-1-carboxylate CAS Name: 1-[(6-chloro-2-naphthalenyl)sulfonyl]-5-oxo-2-(4-piperidinylmethyl)-1,4-diazepan-1-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(6-chloronaphthalen-2-yl)sulfonyl-5-oxo-2-(piperidin-4-ylmethyl)-1,4-diazepan-1-ium-1-carboxylate Traditional Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-5-keto-2-(4-piperidylmethyl)-1,4-diazepan-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H35ClN3O5S+ MolecularWeight: 537.0912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(=O)NCC1CC2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(=O)NCC1CC2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)30(13-10-24(31)29-17-22(30)14-18-8-11-28-12-9-18)36(33,34)23-7-5-19-15-21(27)6-4-20(19)16-23/h4-7,15-16,18,22,28H,8-14,17H2,1-3H3/p+1